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/RND30-7ad9ce6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGU
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/RND30-7ad9ce6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGU
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGU
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGU
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGU
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGU
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGU
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGU
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGU
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-7ad9ce6c/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGU
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -109.895914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.895914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.895914 (E_RNA)
where:
Base-Base interactions energy: -2.174
where: short stacking energy: -2.174
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
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: 1
Temperature: 0.950000
Total energy: -109.895914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.895914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.895914 (E_RNA)
where:
Base-Base interactions energy: -2.174
where: short stacking energy: -2.174
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -109.895914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.895914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.895914 (E_RNA)
where:
Base-Base interactions energy: -2.174
where: short stacking energy: -2.174
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -109.895914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.895914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.895914 (E_RNA)
where:
Base-Base interactions energy: -2.174
where: short stacking energy: -2.174
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -109.895914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.895914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.895914 (E_RNA)
where:
Base-Base interactions energy: -2.174
where: short stacking energy: -2.174
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -109.895914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.895914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.895914 (E_RNA)
where:
Base-Base interactions energy: -2.174
where: short stacking energy: -2.174
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -109.895914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.895914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.895914 (E_RNA)
where:
Base-Base interactions energy: -2.174
where: short stacking energy: -2.174
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -109.895914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.895914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.895914 (E_RNA)
where:
Base-Base interactions energy: -2.174
where: short stacking energy: -2.174
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -109.895914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.895914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.895914 (E_RNA)
where:
Base-Base interactions energy: -2.174
where: short stacking energy: -2.174
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
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: 1
Temperature: 1.350000
Total energy: -109.895914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.895914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.895914 (E_RNA)
where:
Base-Base interactions energy: -2.174
where: short stacking energy: -2.174
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -181.675010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.675010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.675010 (E_RNA)
where:
Base-Base interactions energy: -85.091
where: short stacking energy: -83.097
Base-Backbone interact. energy: -0.007
local terms energy: -96.577671
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -156.590999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.590999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.590999 (E_RNA)
where:
Base-Base interactions energy: -68.683
where: short stacking energy: -61.601
Base-Backbone interact. energy: -0.065
local terms energy: -87.842449
where:
bonds (distance) C4'-P energy: -22.712
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -10.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -173.535930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.535930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.535930 (E_RNA)
where:
Base-Base interactions energy: -92.455
where: short stacking energy: -68.295
Base-Backbone interact. energy: -1.125
local terms energy: -79.955910
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -8.699
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -140.252925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.252925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.252925 (E_RNA)
where:
Base-Base interactions energy: -55.212
where: short stacking energy: -55.212
Base-Backbone interact. energy: -0.044
local terms energy: -84.996772
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -12.430
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -149.747528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.747528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.747528 (E_RNA)
where:
Base-Base interactions energy: -75.560
where: short stacking energy: -62.406
Base-Backbone interact. energy: -0.187
local terms energy: -74.000835
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -123.701351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.701351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.701351 (E_RNA)
where:
Base-Base interactions energy: -48.928
where: short stacking energy: -47.496
Base-Backbone interact. energy: -0.162
local terms energy: -74.611752
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -15.567
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -121.473385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.473385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.473385 (E_RNA)
where:
Base-Base interactions energy: -56.581
where: short stacking energy: -43.704
Base-Backbone interact. energy: -0.527
local terms energy: -64.365588
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -13.766
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -109.281709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.281709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.281709 (E_RNA)
where:
Base-Base interactions energy: -2.174
where: short stacking energy: -2.174
Base-Backbone interact. energy: -0.000
local terms energy: -107.107214
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -24.282
tors. eta vs tors. theta energy: -7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -112.070648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.070648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.070648 (E_RNA)
where:
Base-Base interactions energy: -43.742
where: short stacking energy: -43.742
Base-Backbone interact. energy: -0.111
local terms energy: -68.217750
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -7.902
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -6.715
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -109.234268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.234268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.234268 (E_RNA)
where:
Base-Base interactions energy: -2.174
where: short stacking energy: -2.174
Base-Backbone interact. energy: -0.000
local terms energy: -107.059772
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -24.234
tors. eta vs tors. theta energy: -7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -178.007852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.007852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.007852 (E_RNA)
where:
Base-Base interactions energy: -81.939
where: short stacking energy: -81.939
Base-Backbone interact. energy: -0.006
local terms energy: -96.062359
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -18.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -192.988220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.988220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.988220 (E_RNA)
where:
Base-Base interactions energy: -109.274
where: short stacking energy: -78.570
Base-Backbone interact. energy: -0.021
local terms energy: -83.693276
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -20.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -177.986618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.986618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.986618 (E_RNA)
where:
Base-Base interactions energy: -90.307
where: short stacking energy: -53.854
Base-Backbone interact. energy: 0.039
local terms energy: -87.719144
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -20.210
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -8.046
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: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -158.266297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.266297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.266297 (E_RNA)
where:
Base-Base interactions energy: -75.161
where: short stacking energy: -58.168
Base-Backbone interact. energy: -0.483
local terms energy: -82.621969
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -7.921
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: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -129.492264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.492264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.492264 (E_RNA)
where:
Base-Base interactions energy: -52.017
where: short stacking energy: -52.017
Base-Backbone interact. energy: -0.003
local terms energy: -77.472227
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -23.310
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -7.287
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: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -107.539041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.539041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.539041 (E_RNA)
where:
Base-Base interactions energy: -34.510
where: short stacking energy: -33.684
Base-Backbone interact. energy: -0.122
local terms energy: -72.907328
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -122.899072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.899072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.899072 (E_RNA)
where:
Base-Base interactions energy: -57.778
where: short stacking energy: -33.065
Base-Backbone interact. energy: 0.779
local terms energy: -65.900058
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -1.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -114.969394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.969394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.969394 (E_RNA)
where:
Base-Base interactions energy: -44.433
where: short stacking energy: -34.150
Base-Backbone interact. energy: -0.081
local terms energy: -70.455750
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -105.470433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.470433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.470433 (E_RNA)
where:
Base-Base interactions energy: -41.356
where: short stacking energy: -40.097
Base-Backbone interact. energy: -0.229
local terms energy: -63.885245
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -120.240799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.240799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.240799 (E_RNA)
where:
Base-Base interactions energy: -49.691
where: short stacking energy: -39.733
Base-Backbone interact. energy: -0.339
local terms energy: -70.211711
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -195.378588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.378588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.378588 (E_RNA)
where:
Base-Base interactions energy: -102.134
where: short stacking energy: -73.034
Base-Backbone interact. energy: -0.095
local terms energy: -93.149646
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -15.785
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -202.008979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.008979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.008979 (E_RNA)
where:
Base-Base interactions energy: -112.087
where: short stacking energy: -80.239
Base-Backbone interact. energy: -0.055
local terms energy: -89.867302
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -201.204327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.204327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.204327 (E_RNA)
where:
Base-Base interactions energy: -115.438
where: short stacking energy: -70.013
Base-Backbone interact. energy: -0.862
local terms energy: -84.904297
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -173.399058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.399058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.399058 (E_RNA)
where:
Base-Base interactions energy: -104.445
where: short stacking energy: -53.276
Base-Backbone interact. energy: -0.267
local terms energy: -68.686763
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -2.788
tors. eta vs tors. theta energy: -9.004
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: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -151.427134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.427134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.427134 (E_RNA)
where:
Base-Base interactions energy: -83.728
where: short stacking energy: -47.802
Base-Backbone interact. energy: 0.619
local terms energy: -68.317600
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -9.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -137.544644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.544644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.544644 (E_RNA)
where:
Base-Base interactions energy: -63.223
where: short stacking energy: -39.210
Base-Backbone interact. energy: 0.457
local terms energy: -74.778458
where:
bonds (distance) C4'-P energy: -23.051
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -8.076
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: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -153.561879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.561879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.561879 (E_RNA)
where:
Base-Base interactions energy: -83.849
where: short stacking energy: -37.398
Base-Backbone interact. energy: -0.265
local terms energy: -69.447600
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -5.992
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: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -113.782747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.782747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.782747 (E_RNA)
where:
Base-Base interactions energy: -36.144
where: short stacking energy: -36.024
Base-Backbone interact. energy: -0.237
local terms energy: -77.401680
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -7.049
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: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -103.653402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.653402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.653402 (E_RNA)
where:
Base-Base interactions energy: -41.747
where: short stacking energy: -37.468
Base-Backbone interact. energy: -0.362
local terms energy: -61.544637
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -15.450
flat angles C4'-P-C4' energy: -20.141
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -5.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -107.202672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.202672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.202672 (E_RNA)
where:
Base-Base interactions energy: -44.824
where: short stacking energy: -43.628
Base-Backbone interact. energy: -0.998
local terms energy: -61.380912
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -8.034
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: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -210.961178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.961178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.961178 (E_RNA)
where:
Base-Base interactions energy: -115.591
where: short stacking energy: -94.263
Base-Backbone interact. energy: -0.019
local terms energy: -95.350816
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -22.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -214.781112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.781112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.781112 (E_RNA)
where:
Base-Base interactions energy: -124.210
where: short stacking energy: -60.439
Base-Backbone interact. energy: -0.913
local terms energy: -89.658251
where:
bonds (distance) C4'-P energy: -23.709
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -14.767
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: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -180.736711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.736711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.736711 (E_RNA)
where:
Base-Base interactions energy: -92.016
where: short stacking energy: -68.780
Base-Backbone interact. energy: 1.322
local terms energy: -90.042274
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -156.382999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.382999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.382999 (E_RNA)
where:
Base-Base interactions energy: -68.461
where: short stacking energy: -65.079
Base-Backbone interact. energy: -0.629
local terms energy: -87.293408
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -13.947
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: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -161.712795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.712795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.712795 (E_RNA)
where:
Base-Base interactions energy: -78.188
where: short stacking energy: -66.191
Base-Backbone interact. energy: -0.106
local terms energy: -83.418396
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -13.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -174.279441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.279441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.279441 (E_RNA)
where:
Base-Base interactions energy: -104.220
where: short stacking energy: -50.993
Base-Backbone interact. energy: 0.167
local terms energy: -70.226054
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -11.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -144.227229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.227229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.227229 (E_RNA)
where:
Base-Base interactions energy: -71.559
where: short stacking energy: -40.762
Base-Backbone interact. energy: -0.896
local terms energy: -71.771896
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -23.472
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -118.714020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.714020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.714020 (E_RNA)
where:
Base-Base interactions energy: -51.663
where: short stacking energy: -30.212
Base-Backbone interact. energy: 2.181
local terms energy: -69.231770
where:
bonds (distance) C4'-P energy: -22.306
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: 0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -108.855749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.855749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.855749 (E_RNA)
where:
Base-Base interactions energy: -43.728
where: short stacking energy: -32.243
Base-Backbone interact. energy: 0.481
local terms energy: -65.608602
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -97.979310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.979310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.979310 (E_RNA)
where:
Base-Base interactions energy: -38.462
where: short stacking energy: -22.503
Base-Backbone interact. energy: 1.133
local terms energy: -60.650148
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -1.329
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: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -234.029891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.029891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.029891 (E_RNA)
where:
Base-Base interactions energy: -144.277
where: short stacking energy: -76.572
Base-Backbone interact. energy: -0.186
local terms energy: -89.566875
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -8.631
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: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -210.658836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.658836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.658836 (E_RNA)
where:
Base-Base interactions energy: -120.062
where: short stacking energy: -72.807
Base-Backbone interact. energy: -0.245
local terms energy: -90.352180
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -22.248
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -165.607330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.607330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.607330 (E_RNA)
where:
Base-Base interactions energy: -80.105
where: short stacking energy: -61.428
Base-Backbone interact. energy: -0.689
local terms energy: -84.812702
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -12.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -153.238762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.238762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.238762 (E_RNA)
where:
Base-Base interactions energy: -63.739
where: short stacking energy: -47.824
Base-Backbone interact. energy: 0.217
local terms energy: -89.717167
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -11.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -202.697954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.697954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.697954 (E_RNA)
where:
Base-Base interactions energy: -115.297
where: short stacking energy: -75.653
Base-Backbone interact. energy: 0.297
local terms energy: -87.697351
where:
bonds (distance) C4'-P energy: -24.438
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -136.951350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.951350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.951350 (E_RNA)
where:
Base-Base interactions energy: -62.167
where: short stacking energy: -54.008
Base-Backbone interact. energy: -0.291
local terms energy: -74.493577
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -12.665
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -146.284958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.284958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.284958 (E_RNA)
where:
Base-Base interactions energy: -67.766
where: short stacking energy: -45.118
Base-Backbone interact. energy: 0.135
local terms energy: -78.653928
where:
bonds (distance) C4'-P energy: -22.202
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -9.214
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: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -114.172671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.172671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.172671 (E_RNA)
where:
Base-Base interactions energy: -50.808
where: short stacking energy: -37.857
Base-Backbone interact. energy: 2.290
local terms energy: -65.654189
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -7.390
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: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -99.509151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.509151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.509151 (E_RNA)
where:
Base-Base interactions energy: -42.150
where: short stacking energy: -29.416
Base-Backbone interact. energy: 0.311
local terms energy: -57.670394
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: 0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -105.438399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.438399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.438399 (E_RNA)
where:
Base-Base interactions energy: -40.061
where: short stacking energy: -39.449
Base-Backbone interact. energy: 0.328
local terms energy: -65.705250
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -6.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -243.892362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.892362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.892362 (E_RNA)
where:
Base-Base interactions energy: -146.068
where: short stacking energy: -82.619
Base-Backbone interact. energy: -0.252
local terms energy: -97.572736
where:
bonds (distance) C4'-P energy: -23.026
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -21.803
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: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -237.454561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.454561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.454561 (E_RNA)
where:
Base-Base interactions energy: -132.384
where: short stacking energy: -91.176
Base-Backbone interact. energy: -0.001
local terms energy: -105.069464
where:
bonds (distance) C4'-P energy: -20.623
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: -28.116
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: 7
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -176.677298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.677298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.677298 (E_RNA)
where:
Base-Base interactions energy: -91.521
where: short stacking energy: -61.364
Base-Backbone interact. energy: 0.351
local terms energy: -85.507921
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -213.199989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.199989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.199989 (E_RNA)
where:
Base-Base interactions energy: -129.421
where: short stacking energy: -75.814
Base-Backbone interact. energy: 3.374
local terms energy: -87.153062
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -22.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -145.005016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.005016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.005016 (E_RNA)
where:
Base-Base interactions energy: -73.381
where: short stacking energy: -50.042
Base-Backbone interact. energy: 0.783
local terms energy: -72.407249
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -12.299
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: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -169.920069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.920069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.920069 (E_RNA)
where:
Base-Base interactions energy: -85.011
where: short stacking energy: -58.456
Base-Backbone interact. energy: -0.406
local terms energy: -84.503670
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -13.744
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: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -120.363408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.363408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.363408 (E_RNA)
where:
Base-Base interactions energy: -50.642
where: short stacking energy: -34.712
Base-Backbone interact. energy: 2.316
local terms energy: -72.038004
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -109.004996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.004996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.004996 (E_RNA)
where:
Base-Base interactions energy: -47.986
where: short stacking energy: -47.986
Base-Backbone interact. energy: -0.315
local terms energy: -60.704223
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -110.018051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.018051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.018051 (E_RNA)
where:
Base-Base interactions energy: -50.415
where: short stacking energy: -28.283
Base-Backbone interact. energy: -0.152
local terms energy: -59.451208
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -0.643
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: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -104.184451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.184451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.184451 (E_RNA)
where:
Base-Base interactions energy: -32.642
where: short stacking energy: -32.742
Base-Backbone interact. energy: -0.484
local terms energy: -71.057996
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -9.309
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: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -247.239971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.239971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.239971 (E_RNA)
where:
Base-Base interactions energy: -144.914
where: short stacking energy: -76.612
Base-Backbone interact. energy: -0.140
local terms energy: -102.185381
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -22.849
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -24.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -255.952306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.952306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.952306 (E_RNA)
where:
Base-Base interactions energy: -157.560
where: short stacking energy: -81.656
Base-Backbone interact. energy: -0.289
local terms energy: -98.103710
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -21.371
flat angles P-C4'-P energy: -18.832
tors. eta vs tors. theta energy: -21.023
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: 8
Temperature: 1.000000
Total energy: -232.221289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.221289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.221289 (E_RNA)
where:
Base-Base interactions energy: -132.352
where: short stacking energy: -78.720
Base-Backbone interact. energy: -0.287
local terms energy: -99.582538
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -25.574
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -22.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -175.888254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.888254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.888254 (E_RNA)
where:
Base-Base interactions energy: -95.036
where: short stacking energy: -70.453
Base-Backbone interact. energy: -1.535
local terms energy: -79.316613
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -174.213974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.213974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.213974 (E_RNA)
where:
Base-Base interactions energy: -92.003
where: short stacking energy: -62.544
Base-Backbone interact. energy: -0.143
local terms energy: -82.068393
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -8.730
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: 6, replica: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -192.628989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.628989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.628989 (E_RNA)
where:
Base-Base interactions energy: -102.446
where: short stacking energy: -58.157
Base-Backbone interact. energy: -0.124
local terms energy: -90.059144
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -23.330
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -130.692823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.692823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.692823 (E_RNA)
where:
Base-Base interactions energy: -52.597
where: short stacking energy: -39.226
Base-Backbone interact. energy: -0.153
local terms energy: -77.942963
where:
bonds (distance) C4'-P energy: -20.326
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -14.237
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: 8, replica: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -141.345860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.345860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.345860 (E_RNA)
where:
Base-Base interactions energy: -75.672
where: short stacking energy: -50.993
Base-Backbone interact. energy: -0.348
local terms energy: -65.325755
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -2.883
tors. eta vs tors. theta energy: -9.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -101.917585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.917585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.917585 (E_RNA)
where:
Base-Base interactions energy: -46.182
where: short stacking energy: -40.266
Base-Backbone interact. energy: -0.178
local terms energy: -55.556914
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -0.158
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: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -104.369005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.369005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.369005 (E_RNA)
where:
Base-Base interactions energy: -38.152
where: short stacking energy: -24.024
Base-Backbone interact. energy: -0.503
local terms energy: -65.714509
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -14.218
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: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -263.934647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.934647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.934647 (E_RNA)
where:
Base-Base interactions energy: -162.607
where: short stacking energy: -89.250
Base-Backbone interact. energy: -0.298
local terms energy: -101.029102
where:
bonds (distance) C4'-P energy: -21.280
bonds (distance) P-C4' energy: -24.055
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -26.139
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: 9
Temperature: 0.950000
Total energy: -266.453179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.453179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.453179 (E_RNA)
where:
Base-Base interactions energy: -161.039
where: short stacking energy: -85.232
Base-Backbone interact. energy: -0.288
local terms energy: -105.126667
where:
bonds (distance) C4'-P energy: -20.717
bonds (distance) P-C4' energy: -23.352
flat angles C4'-P-C4' energy: -24.365
flat angles P-C4'-P energy: -15.687
tors. eta vs tors. theta energy: -21.006
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: 6
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -210.744785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.744785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.744785 (E_RNA)
where:
Base-Base interactions energy: -128.404
where: short stacking energy: -70.847
Base-Backbone interact. energy: -0.096
local terms energy: -82.244366
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -18.541
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: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -173.157664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.157664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.157664 (E_RNA)
where:
Base-Base interactions energy: -91.937
where: short stacking energy: -57.356
Base-Backbone interact. energy: -0.432
local terms energy: -80.788682
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -13.865
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: 5, replica: 7
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -149.108863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.108863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.108863 (E_RNA)
where:
Base-Base interactions energy: -65.707
where: short stacking energy: -55.816
Base-Backbone interact. energy: -0.160
local terms energy: -83.241504
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -11.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -199.085006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.085006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.085006 (E_RNA)
where:
Base-Base interactions energy: -107.220
where: short stacking energy: -68.594
Base-Backbone interact. energy: -0.047
local terms energy: -91.817829
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -113.605165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.605165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.605165 (E_RNA)
where:
Base-Base interactions energy: -56.306
where: short stacking energy: -42.107
Base-Backbone interact. energy: -0.409
local terms energy: -56.889792
where:
bonds (distance) C4'-P energy: -9.414
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: 0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -110.730536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.730536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.730536 (E_RNA)
where:
Base-Base interactions energy: -44.159
where: short stacking energy: -40.442
Base-Backbone interact. energy: -0.237
local terms energy: -66.334286
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -110.708100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.708100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.708100 (E_RNA)
where:
Base-Base interactions energy: -38.408
where: short stacking energy: -39.008
Base-Backbone interact. energy: -0.112
local terms energy: -72.187317
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -100.881699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.881699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.881699 (E_RNA)
where:
Base-Base interactions energy: -36.586
where: short stacking energy: -23.299
Base-Backbone interact. energy: 0.006
local terms energy: -64.301446
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -269.919296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.919296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.919296 (E_RNA)
where:
Base-Base interactions energy: -175.871
where: short stacking energy: -84.930
Base-Backbone interact. energy: -0.283
local terms energy: -93.765066
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -17.947
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -266.496673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.496673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.496673 (E_RNA)
where:
Base-Base interactions energy: -162.682
where: short stacking energy: -82.031
Base-Backbone interact. energy: -0.006
local terms energy: -103.808460
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -23.302
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -22.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -238.094818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.094818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.094818 (E_RNA)
where:
Base-Base interactions energy: -138.907
where: short stacking energy: -78.721
Base-Backbone interact. energy: -0.184
local terms energy: -99.004233
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -22.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -188.111663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.111663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.111663 (E_RNA)
where:
Base-Base interactions energy: -100.540
where: short stacking energy: -66.767
Base-Backbone interact. energy: -0.150
local terms energy: -87.421938
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -17.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -202.895728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.895728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.895728 (E_RNA)
where:
Base-Base interactions energy: -119.282
where: short stacking energy: -71.798
Base-Backbone interact. energy: 0.632
local terms energy: -84.246279
where:
bonds (distance) C4'-P energy: -19.318
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -21.403
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -15.000
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: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -149.265453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.265453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.265453 (E_RNA)
where:
Base-Base interactions energy: -72.536
where: short stacking energy: -33.371
Base-Backbone interact. energy: -0.502
local terms energy: -76.228142
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: 1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -124.361503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.361503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.361503 (E_RNA)
where:
Base-Base interactions energy: -47.500
where: short stacking energy: -47.500
Base-Backbone interact. energy: -0.333
local terms energy: -76.529001
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -6.855
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: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -113.927162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.927162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.927162 (E_RNA)
where:
Base-Base interactions energy: -39.982
where: short stacking energy: -33.809
Base-Backbone interact. energy: -0.321
local terms energy: -73.623684
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -4.283
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: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -103.903736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.903736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.903736 (E_RNA)
where:
Base-Base interactions energy: -45.087
where: short stacking energy: -23.199
Base-Backbone interact. energy: -0.141
local terms energy: -58.675720
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -10.139
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: 1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -106.570847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.570847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.570847 (E_RNA)
where:
Base-Base interactions energy: -43.144
where: short stacking energy: -39.438
Base-Backbone interact. energy: -0.259
local terms energy: -63.167431
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: 0.658
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: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -268.932207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.932207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.932207 (E_RNA)
where:
Base-Base interactions energy: -178.421
where: short stacking energy: -72.480
Base-Backbone interact. energy: -0.040
local terms energy: -90.471204
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -14.163
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: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -259.635907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.635907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.635907 (E_RNA)
where:
Base-Base interactions energy: -160.967
where: short stacking energy: -88.698
Base-Backbone interact. energy: -0.002
local terms energy: -98.667221
where:
bonds (distance) C4'-P energy: -20.965
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -20.915
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -21.856
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: 11
Temperature: 1.000000
Total energy: -227.877942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.877942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.877942 (E_RNA)
where:
Base-Base interactions energy: -133.365
where: short stacking energy: -75.594
Base-Backbone interact. energy: -0.398
local terms energy: -94.115022
where:
bonds (distance) C4'-P energy: -21.164
bonds (distance) P-C4' energy: -23.856
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -224.622194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.622194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.622194 (E_RNA)
where:
Base-Base interactions energy: -123.817
where: short stacking energy: -76.634
Base-Backbone interact. energy: -0.244
local terms energy: -100.561338
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -169.999096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.999096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.999096 (E_RNA)
where:
Base-Base interactions energy: -98.064
where: short stacking energy: -66.090
Base-Backbone interact. energy: -0.196
local terms energy: -71.739132
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -4.546
tors. eta vs tors. theta energy: -17.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -175.384253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.384253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.384253 (E_RNA)
where:
Base-Base interactions energy: -89.781
where: short stacking energy: -58.725
Base-Backbone interact. energy: -0.353
local terms energy: -85.250221
where:
bonds (distance) C4'-P energy: -19.839
bonds (distance) P-C4' energy: -23.660
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -107.854865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.854865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.854865 (E_RNA)
where:
Base-Base interactions energy: -44.670
where: short stacking energy: -31.017
Base-Backbone interact. energy: -0.319
local terms energy: -62.866369
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -18.975
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -1.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -104.319379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.319379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.319379 (E_RNA)
where:
Base-Base interactions energy: -35.047
where: short stacking energy: -35.006
Base-Backbone interact. energy: -0.296
local terms energy: -68.976272
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -23.698
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -3.547
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: 4
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -109.107387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.107387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.107387 (E_RNA)
where:
Base-Base interactions energy: -47.522
where: short stacking energy: -34.588
Base-Backbone interact. energy: -0.187
local terms energy: -61.398485
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -107.906263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.906263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.906263 (E_RNA)
where:
Base-Base interactions energy: -49.754
where: short stacking energy: -41.891
Base-Backbone interact. energy: -0.450
local terms energy: -57.702629
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -8.150
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -6.691
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: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -266.711930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.711930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.711930 (E_RNA)
where:
Base-Base interactions energy: -170.765
where: short stacking energy: -76.280
Base-Backbone interact. energy: -0.534
local terms energy: -95.412450
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -21.663
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -247.194895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.194895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.194895 (E_RNA)
where:
Base-Base interactions energy: -141.557
where: short stacking energy: -104.175
Base-Backbone interact. energy: -0.017
local terms energy: -105.620523
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -30.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -224.437367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.437367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.437367 (E_RNA)
where:
Base-Base interactions energy: -130.837
where: short stacking energy: -83.641
Base-Backbone interact. energy: -0.024
local terms energy: -93.576112
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -23.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -221.148183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.148183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.148183 (E_RNA)
where:
Base-Base interactions energy: -121.593
where: short stacking energy: -81.805
Base-Backbone interact. energy: -0.003
local terms energy: -99.551871
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -15.928
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: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -178.884590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.884590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.884590 (E_RNA)
where:
Base-Base interactions energy: -89.713
where: short stacking energy: -59.686
Base-Backbone interact. energy: -0.506
local terms energy: -88.665744
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -22.343
flat angles C4'-P-C4' energy: -22.180
flat angles P-C4'-P energy: -16.256
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: 6, replica: 10
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -176.563903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.563903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.563903 (E_RNA)
where:
Base-Base interactions energy: -102.486
where: short stacking energy: -62.353
Base-Backbone interact. energy: 0.462
local terms energy: -74.540526
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -11.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -127.893596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.893596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.893596 (E_RNA)
where:
Base-Base interactions energy: -62.542
where: short stacking energy: -42.955
Base-Backbone interact. energy: -0.067
local terms energy: -65.285150
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: 2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -134.466539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.466539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.466539 (E_RNA)
where:
Base-Base interactions energy: -68.676
where: short stacking energy: -36.787
Base-Backbone interact. energy: -0.619
local terms energy: -65.171312
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -2.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -107.041717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.041717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.041717 (E_RNA)
where:
Base-Base interactions energy: -42.545
where: short stacking energy: -36.037
Base-Backbone interact. energy: -0.334
local terms energy: -64.162348
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -20.149
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -98.689489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.689489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.689489 (E_RNA)
where:
Base-Base interactions energy: -41.896
where: short stacking energy: -17.460
Base-Backbone interact. energy: -0.749
local terms energy: -56.044767
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: 5.833
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: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -258.313072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.313072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.313072 (E_RNA)
where:
Base-Base interactions energy: -156.638
where: short stacking energy: -86.882
Base-Backbone interact. energy: -0.401
local terms energy: -101.274366
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -23.321
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -15.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -244.604601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.604601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.604601 (E_RNA)
where:
Base-Base interactions energy: -136.889
where: short stacking energy: -89.479
Base-Backbone interact. energy: -0.039
local terms energy: -107.676280
where:
bonds (distance) C4'-P energy: -23.002
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -27.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -218.288475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.288475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.288475 (E_RNA)
where:
Base-Base interactions energy: -122.998
where: short stacking energy: -80.393
Base-Backbone interact. energy: -0.012
local terms energy: -95.278468
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -23.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -226.491084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.491084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.491084 (E_RNA)
where:
Base-Base interactions energy: -124.357
where: short stacking energy: -75.218
Base-Backbone interact. energy: 1.494
local terms energy: -103.627411
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -25.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -176.386351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.386351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.386351 (E_RNA)
where:
Base-Base interactions energy: -94.568
where: short stacking energy: -65.534
Base-Backbone interact. energy: -0.144
local terms energy: -81.673950
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -17.835
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: 13
Temperature: 1.150000
Total energy: -191.169792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.169792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.169792 (E_RNA)
where:
Base-Base interactions energy: -103.432
where: short stacking energy: -60.105
Base-Backbone interact. energy: -0.636
local terms energy: -87.102306
where:
bonds (distance) C4'-P energy: -22.165
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -116.137938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.137938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.137938 (E_RNA)
where:
Base-Base interactions energy: -55.862
where: short stacking energy: -46.775
Base-Backbone interact. energy: -0.644
local terms energy: -59.631473
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -8.792
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: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -157.426952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.426952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.426952 (E_RNA)
where:
Base-Base interactions energy: -85.994
where: short stacking energy: -55.825
Base-Backbone interact. energy: 0.408
local terms energy: -71.840746
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -8.146
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: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -104.608516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.608516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.608516 (E_RNA)
where:
Base-Base interactions energy: -31.507
where: short stacking energy: -29.289
Base-Backbone interact. energy: -0.064
local terms energy: -73.037375
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -10.913
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: 13
Temperature: 1.350000
Total energy: -104.646264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.646264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.646264 (E_RNA)
where:
Base-Base interactions energy: -59.487
where: short stacking energy: -35.735
Base-Backbone interact. energy: 0.441
local terms energy: -45.600683
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -9.996
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: 0.983
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: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -240.350736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.350736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.350736 (E_RNA)
where:
Base-Base interactions energy: -143.243
where: short stacking energy: -88.792
Base-Backbone interact. energy: -0.380
local terms energy: -96.727082
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -23.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -250.990617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.990617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.990617 (E_RNA)
where:
Base-Base interactions energy: -161.788
where: short stacking energy: -79.890
Base-Backbone interact. energy: -0.172
local terms energy: -89.030780
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -235.427714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.427714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.427714 (E_RNA)
where:
Base-Base interactions energy: -144.216
where: short stacking energy: -94.977
Base-Backbone interact. energy: 0.004
local terms energy: -91.215750
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -19.265
flat angles C4'-P-C4' energy: -23.406
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -22.585
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: 6
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -207.176429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.176429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.176429 (E_RNA)
where:
Base-Base interactions energy: -123.646
where: short stacking energy: -66.926
Base-Backbone interact. energy: -0.643
local terms energy: -82.887320
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -17.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -189.862339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.862339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.862339 (E_RNA)
where:
Base-Base interactions energy: -100.141
where: short stacking energy: -64.651
Base-Backbone interact. energy: -0.244
local terms energy: -89.477343
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -14.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -165.704585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.704585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.704585 (E_RNA)
where:
Base-Base interactions energy: -89.601
where: short stacking energy: -55.240
Base-Backbone interact. energy: -0.807
local terms energy: -75.297321
where:
bonds (distance) C4'-P energy: -21.624
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -8.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -133.504388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.504388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.504388 (E_RNA)
where:
Base-Base interactions energy: -62.173
where: short stacking energy: -41.889
Base-Backbone interact. energy: 1.345
local terms energy: -72.676370
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -21.251
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -122.475525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.475525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.475525 (E_RNA)
where:
Base-Base interactions energy: -54.199
where: short stacking energy: -31.029
Base-Backbone interact. energy: -1.135
local terms energy: -67.141114
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -104.711559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.711559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.711559 (E_RNA)
where:
Base-Base interactions energy: -36.157
where: short stacking energy: -36.157
Base-Backbone interact. energy: -0.300
local terms energy: -68.255044
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -7.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -103.756182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.756182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.756182 (E_RNA)
where:
Base-Base interactions energy: -39.566
where: short stacking energy: -37.099
Base-Backbone interact. energy: -0.152
local terms energy: -64.038448
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -239.643643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.643643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.643643 (E_RNA)
where:
Base-Base interactions energy: -141.884
where: short stacking energy: -80.277
Base-Backbone interact. energy: 0.299
local terms energy: -98.058662
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -21.908
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -22.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -238.790891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.790891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.790891 (E_RNA)
where:
Base-Base interactions energy: -145.844
where: short stacking energy: -87.523
Base-Backbone interact. energy: -0.055
local terms energy: -92.892249
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -23.200
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -264.924922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.924922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.924922 (E_RNA)
where:
Base-Base interactions energy: -166.706
where: short stacking energy: -78.152
Base-Backbone interact. energy: -0.613
local terms energy: -97.606158
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -189.202579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.202579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.202579 (E_RNA)
where:
Base-Base interactions energy: -101.175
where: short stacking energy: -51.654
Base-Backbone interact. energy: -0.180
local terms energy: -87.846884
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -16.225
tors. eta vs tors. theta energy: -7.824
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: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -189.962046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.962046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.962046 (E_RNA)
where:
Base-Base interactions energy: -104.436
where: short stacking energy: -53.089
Base-Backbone interact. energy: -0.064
local terms energy: -85.461937
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -22.400
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -11.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -139.777375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.777375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.777375 (E_RNA)
where:
Base-Base interactions energy: -67.946
where: short stacking energy: -58.792
Base-Backbone interact. energy: -0.317
local terms energy: -71.514410
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -9.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -161.595243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.595243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.595243 (E_RNA)
where:
Base-Base interactions energy: -88.007
where: short stacking energy: -44.161
Base-Backbone interact. energy: -0.952
local terms energy: -72.635898
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -18.478
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -118.422215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.422215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.422215 (E_RNA)
where:
Base-Base interactions energy: -48.992
where: short stacking energy: -38.889
Base-Backbone interact. energy: -0.449
local terms energy: -68.981499
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -105.210993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.210993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.210993 (E_RNA)
where:
Base-Base interactions energy: -40.350
where: short stacking energy: -32.805
Base-Backbone interact. energy: -0.143
local terms energy: -64.718452
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -21.607
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -106.715386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.715386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.715386 (E_RNA)
where:
Base-Base interactions energy: -45.341
where: short stacking energy: -37.165
Base-Backbone interact. energy: -0.235
local terms energy: -61.138912
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -245.312648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.312648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.312648 (E_RNA)
where:
Base-Base interactions energy: -141.550
where: short stacking energy: -92.992
Base-Backbone interact. energy: 1.153
local terms energy: -104.915811
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -22.198
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -26.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -231.091635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.091635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.091635 (E_RNA)
where:
Base-Base interactions energy: -137.238
where: short stacking energy: -83.318
Base-Backbone interact. energy: -0.625
local terms energy: -93.229174
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -21.769
flat angles P-C4'-P energy: -16.961
tors. eta vs tors. theta energy: -17.992
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: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -272.318535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.318535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.318535 (E_RNA)
where:
Base-Base interactions energy: -178.075
where: short stacking energy: -88.332
Base-Backbone interact. energy: 0.242
local terms energy: -94.485231
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -18.661
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -23.542
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: 10
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -196.061988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.061988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.061988 (E_RNA)
where:
Base-Base interactions energy: -114.801
where: short stacking energy: -59.096
Base-Backbone interact. energy: -0.197
local terms energy: -81.064242
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -12.174
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: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -175.385664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.385664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.385664 (E_RNA)
where:
Base-Base interactions energy: -99.263
where: short stacking energy: -58.015
Base-Backbone interact. energy: -0.997
local terms energy: -75.125097
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -7.621
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: 9
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -144.037249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.037249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.037249 (E_RNA)
where:
Base-Base interactions energy: -63.651
where: short stacking energy: -63.280
Base-Backbone interact. energy: -0.131
local terms energy: -80.255903
where:
bonds (distance) C4'-P energy: -18.461
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -16.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -147.604259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.604259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.604259 (E_RNA)
where:
Base-Base interactions energy: -85.133
where: short stacking energy: -38.114
Base-Backbone interact. energy: -0.420
local terms energy: -62.051828
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -107.632047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.632047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.632047 (E_RNA)
where:
Base-Base interactions energy: -52.565
where: short stacking energy: -36.843
Base-Backbone interact. energy: -0.747
local terms energy: -54.319827
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -122.609965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.609965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.609965 (E_RNA)
where:
Base-Base interactions energy: -47.610
where: short stacking energy: -36.128
Base-Backbone interact. energy: -0.605
local terms energy: -74.395640
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -8.758
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: 4
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -86.306448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.306448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.306448 (E_RNA)
where:
Base-Base interactions energy: -32.029
where: short stacking energy: -13.857
Base-Backbone interact. energy: 0.827
local terms energy: -55.104078
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: 5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -242.847958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.847958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.847958 (E_RNA)
where:
Base-Base interactions energy: -139.958
where: short stacking energy: -96.794
Base-Backbone interact. energy: -0.000
local terms energy: -102.889362
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -20.913
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -25.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -240.286256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.286256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.286256 (E_RNA)
where:
Base-Base interactions energy: -143.727
where: short stacking energy: -90.368
Base-Backbone interact. energy: -0.126
local terms energy: -96.432923
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -23.901
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: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -217.197206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.197206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.197206 (E_RNA)
where:
Base-Base interactions energy: -122.038
where: short stacking energy: -82.037
Base-Backbone interact. energy: -0.147
local terms energy: -95.012064
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -22.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -186.575141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.575141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.575141 (E_RNA)
where:
Base-Base interactions energy: -105.219
where: short stacking energy: -58.320
Base-Backbone interact. energy: -0.469
local terms energy: -80.886727
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -189.548290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.548290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.548290 (E_RNA)
where:
Base-Base interactions energy: -109.779
where: short stacking energy: -59.752
Base-Backbone interact. energy: -0.036
local terms energy: -79.733661
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -15.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -122.547186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.547186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.547186 (E_RNA)
where:
Base-Base interactions energy: -59.038
where: short stacking energy: -39.727
Base-Backbone interact. energy: 4.635
local terms energy: -68.144308
where:
bonds (distance) C4'-P energy: -18.775
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -147.051563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.051563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.051563 (E_RNA)
where:
Base-Base interactions energy: -74.234
where: short stacking energy: -41.227
Base-Backbone interact. energy: -0.406
local terms energy: -72.411277
where:
bonds (distance) C4'-P energy: -22.439
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -106.465217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.465217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.465217 (E_RNA)
where:
Base-Base interactions energy: -39.067
where: short stacking energy: -39.067
Base-Backbone interact. energy: -0.620
local terms energy: -66.777920
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -124.750395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.750395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.750395 (E_RNA)
where:
Base-Base interactions energy: -62.994
where: short stacking energy: -41.474
Base-Backbone interact. energy: -0.273
local terms energy: -61.483807
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: 0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -99.017239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.017239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.017239 (E_RNA)
where:
Base-Base interactions energy: -28.515
where: short stacking energy: -18.786
Base-Backbone interact. energy: -0.277
local terms energy: -70.225818
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -2.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -248.493190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.493190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.493190 (E_RNA)
where:
Base-Base interactions energy: -149.990
where: short stacking energy: -96.079
Base-Backbone interact. energy: -0.456
local terms energy: -98.046893
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -23.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -228.177536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.177536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.177536 (E_RNA)
where:
Base-Base interactions energy: -131.126
where: short stacking energy: -80.715
Base-Backbone interact. energy: -1.281
local terms energy: -95.770149
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -24.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -210.148237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.148237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.148237 (E_RNA)
where:
Base-Base interactions energy: -124.852
where: short stacking energy: -69.366
Base-Backbone interact. energy: -0.071
local terms energy: -85.225541
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -205.293811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.293811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.293811 (E_RNA)
where:
Base-Base interactions energy: -118.076
where: short stacking energy: -70.475
Base-Backbone interact. energy: 0.774
local terms energy: -87.991437
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -23.960
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -18.736
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: 18
Temperature: 1.100000
Total energy: -196.355047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.355047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.355047 (E_RNA)
where:
Base-Base interactions energy: -113.324
where: short stacking energy: -58.588
Base-Backbone interact. energy: -0.102
local terms energy: -82.929003
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -10.446
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: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -144.486409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.486409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.486409 (E_RNA)
where:
Base-Base interactions energy: -70.335
where: short stacking energy: -53.335
Base-Backbone interact. energy: 0.088
local terms energy: -74.240126
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -13.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -119.006451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.006451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.006451 (E_RNA)
where:
Base-Base interactions energy: -38.547
where: short stacking energy: -37.563
Base-Backbone interact. energy: -0.146
local terms energy: -80.313301
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -22.534
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -107.830358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.830358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.830358 (E_RNA)
where:
Base-Base interactions energy: -50.522
where: short stacking energy: -38.327
Base-Backbone interact. energy: -0.642
local terms energy: -56.666407
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -101.718303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.718303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.718303 (E_RNA)
where:
Base-Base interactions energy: -39.169
where: short stacking energy: -33.061
Base-Backbone interact. energy: -0.203
local terms energy: -62.345936
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -1.389
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: 10, replica: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -93.525107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.525107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.525107 (E_RNA)
where:
Base-Base interactions energy: -36.966
where: short stacking energy: -33.596
Base-Backbone interact. energy: -0.720
local terms energy: -55.839909
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -256.128234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.128234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.128234 (E_RNA)
where:
Base-Base interactions energy: -150.245
where: short stacking energy: -93.754
Base-Backbone interact. energy: -0.839
local terms energy: -105.043614
where:
bonds (distance) C4'-P energy: -22.572
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -22.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -221.176452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.176452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.176452 (E_RNA)
where:
Base-Base interactions energy: -126.161
where: short stacking energy: -73.531
Base-Backbone interact. energy: -0.014
local terms energy: -95.001126
where:
bonds (distance) C4'-P energy: -19.500
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -20.962
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: 10
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -230.560373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.560373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.560373 (E_RNA)
where:
Base-Base interactions energy: -137.751
where: short stacking energy: -70.239
Base-Backbone interact. energy: -0.611
local terms energy: -92.199271
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -23.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -214.890076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.890076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.890076 (E_RNA)
where:
Base-Base interactions energy: -117.206
where: short stacking energy: -67.208
Base-Backbone interact. energy: -0.558
local terms energy: -97.126397
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -19.028
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: 5, replica: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -179.955461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.955461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.955461 (E_RNA)
where:
Base-Base interactions energy: -95.008
where: short stacking energy: -46.956
Base-Backbone interact. energy: -0.478
local terms energy: -84.468652
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -20.663
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -15.827
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: 6, replica: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -131.197609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.197609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.197609 (E_RNA)
where:
Base-Base interactions energy: -50.299
where: short stacking energy: -37.439
Base-Backbone interact. energy: -0.260
local terms energy: -80.638555
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -9.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -127.148139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.148139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.148139 (E_RNA)
where:
Base-Base interactions energy: -57.054
where: short stacking energy: -35.148
Base-Backbone interact. energy: -0.433
local terms energy: -69.660242
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -120.757293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.757293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.757293 (E_RNA)
where:
Base-Base interactions energy: -47.521
where: short stacking energy: -25.339
Base-Backbone interact. energy: 0.118
local terms energy: -73.354277
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -115.354986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.354986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.354986 (E_RNA)
where:
Base-Base interactions energy: -52.797
where: short stacking energy: -37.365
Base-Backbone interact. energy: -1.098
local terms energy: -61.460432
where:
bonds (distance) C4'-P energy: -20.258
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -106.264504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.264504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.264504 (E_RNA)
where:
Base-Base interactions energy: -46.782
where: short stacking energy: -46.782
Base-Backbone interact. energy: -0.284
local terms energy: -59.198810
where:
bonds (distance) C4'-P energy: -8.684
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -11.198
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: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -242.334064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.334064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.334064 (E_RNA)
where:
Base-Base interactions energy: -149.371
where: short stacking energy: -88.940
Base-Backbone interact. energy: -0.460
local terms energy: -92.502898
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -21.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -231.821030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.821030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.821030 (E_RNA)
where:
Base-Base interactions energy: -126.418
where: short stacking energy: -85.141
Base-Backbone interact. energy: -0.086
local terms energy: -105.316704
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -19.219
tors. eta vs tors. theta energy: -26.301
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: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -236.229409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.229409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.229409 (E_RNA)
where:
Base-Base interactions energy: -136.832
where: short stacking energy: -88.742
Base-Backbone interact. energy: -0.474
local terms energy: -98.922982
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -23.309
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -24.713
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: 10
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -234.437983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.437983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.437983 (E_RNA)
where:
Base-Base interactions energy: -147.171
where: short stacking energy: -76.274
Base-Backbone interact. energy: -0.116
local terms energy: -87.151088
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -14.343
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: 20
Temperature: 1.100000
Total energy: -185.483651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.483651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.483651 (E_RNA)
where:
Base-Base interactions energy: -88.951
where: short stacking energy: -57.881
Base-Backbone interact. energy: -1.138
local terms energy: -95.394500
where:
bonds (distance) C4'-P energy: -22.028
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -126.126070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.126070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.126070 (E_RNA)
where:
Base-Base interactions energy: -61.082
where: short stacking energy: -38.580
Base-Backbone interact. energy: -0.563
local terms energy: -64.480563
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -145.485794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.485794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.485794 (E_RNA)
where:
Base-Base interactions energy: -72.362
where: short stacking energy: -36.694
Base-Backbone interact. energy: -1.186
local terms energy: -71.938294
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -123.084542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.084542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.084542 (E_RNA)
where:
Base-Base interactions energy: -53.796
where: short stacking energy: -50.126
Base-Backbone interact. energy: -0.033
local terms energy: -69.255889
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -6.914
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: 9, replica: 5
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -109.752297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.752297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.752297 (E_RNA)
where:
Base-Base interactions energy: -46.884
where: short stacking energy: -41.045
Base-Backbone interact. energy: -0.008
local terms energy: -62.859669
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -108.946882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.946882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.946882 (E_RNA)
where:
Base-Base interactions energy: -42.227
where: short stacking energy: -33.447
Base-Backbone interact. energy: 0.047
local terms energy: -66.767616
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -2.103
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: 2
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -249.919147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.919147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.919147 (E_RNA)
where:
Base-Base interactions energy: -153.813
where: short stacking energy: -94.477
Base-Backbone interact. energy: 0.143
local terms energy: -96.248815
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -18.118
tors. eta vs tors. theta energy: -19.301
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: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -252.608271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.608271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.608271 (E_RNA)
where:
Base-Base interactions energy: -148.580
where: short stacking energy: -85.788
Base-Backbone interact. energy: -0.211
local terms energy: -103.817788
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -25.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -237.716667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.716667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.716667 (E_RNA)
where:
Base-Base interactions energy: -146.633
where: short stacking energy: -97.294
Base-Backbone interact. energy: -0.045
local terms energy: -91.039161
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -29.332
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: 21
Temperature: 1.050000
Total energy: -173.987302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.987302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.987302 (E_RNA)
where:
Base-Base interactions energy: -105.129
where: short stacking energy: -59.960
Base-Backbone interact. energy: 1.778
local terms energy: -70.636319
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -9.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -197.155446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.155446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.155446 (E_RNA)
where:
Base-Base interactions energy: -111.865
where: short stacking energy: -62.124
Base-Backbone interact. energy: -0.217
local terms energy: -85.073436
where:
bonds (distance) C4'-P energy: -21.126
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -19.781
flat angles P-C4'-P energy: -9.378
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: 6, replica: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -139.790969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.790969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.790969 (E_RNA)
where:
Base-Base interactions energy: -69.002
where: short stacking energy: -53.878
Base-Backbone interact. energy: -0.003
local terms energy: -70.785680
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -8.304
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: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -121.064746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.064746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.064746 (E_RNA)
where:
Base-Base interactions energy: -52.297
where: short stacking energy: -50.213
Base-Backbone interact. energy: -0.454
local terms energy: -68.313923
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -118.996352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.996352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.996352 (E_RNA)
where:
Base-Base interactions energy: -47.303
where: short stacking energy: -41.486
Base-Backbone interact. energy: 0.775
local terms energy: -72.468121
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -2.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -100.668639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.668639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.668639 (E_RNA)
where:
Base-Base interactions energy: -31.935
where: short stacking energy: -31.935
Base-Backbone interact. energy: 1.595
local terms energy: -70.328698
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -18.895
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -2.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -105.895851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.895851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.895851 (E_RNA)
where:
Base-Base interactions energy: -52.829
where: short stacking energy: -32.976
Base-Backbone interact. energy: -0.206
local terms energy: -52.860750
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -236.412266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.412266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.412266 (E_RNA)
where:
Base-Base interactions energy: -138.574
where: short stacking energy: -84.443
Base-Backbone interact. energy: -0.020
local terms energy: -97.817849
where:
bonds (distance) C4'-P energy: -22.964
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -16.585
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: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -230.305183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.305183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.305183 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -73.619
Base-Backbone interact. energy: -0.597
local terms energy: -95.837644
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -22.426
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -223.476373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.476373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.476373 (E_RNA)
where:
Base-Base interactions energy: -118.879
where: short stacking energy: -78.706
Base-Backbone interact. energy: -0.621
local terms energy: -103.976431
where:
bonds (distance) C4'-P energy: -21.566
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -25.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -196.552638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.552638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.552638 (E_RNA)
where:
Base-Base interactions energy: -103.069
where: short stacking energy: -54.927
Base-Backbone interact. energy: -0.006
local terms energy: -93.477302
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -24.357
flat angles P-C4'-P energy: -11.361
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: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -197.326398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.326398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.326398 (E_RNA)
where:
Base-Base interactions energy: -108.381
where: short stacking energy: -68.986
Base-Backbone interact. energy: -0.691
local terms energy: -88.254563
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -14.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -156.856211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.856211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.856211 (E_RNA)
where:
Base-Base interactions energy: -82.017
where: short stacking energy: -44.782
Base-Backbone interact. energy: 0.219
local terms energy: -75.057842
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -8.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -144.138938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.138938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.138938 (E_RNA)
where:
Base-Base interactions energy: -75.403
where: short stacking energy: -50.436
Base-Backbone interact. energy: 0.808
local terms energy: -69.544239
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -9.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -116.326315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.326315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.326315 (E_RNA)
where:
Base-Base interactions energy: -49.846
where: short stacking energy: -32.758
Base-Backbone interact. energy: -0.238
local terms energy: -66.242468
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -114.615138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.615138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.615138 (E_RNA)
where:
Base-Base interactions energy: -46.619
where: short stacking energy: -46.619
Base-Backbone interact. energy: -0.273
local terms energy: -67.723328
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -6.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -95.052624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.052624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.052624 (E_RNA)
where:
Base-Base interactions energy: -57.140
where: short stacking energy: -33.062
Base-Backbone interact. energy: 0.776
local terms energy: -38.688254
where:
bonds (distance) C4'-P energy: -19.839
bonds (distance) P-C4' energy: -8.228
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -3.054
tors. eta vs tors. theta energy: 6.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -244.954055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.954055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.954055 (E_RNA)
where:
Base-Base interactions energy: -141.202
where: short stacking energy: -92.657
Base-Backbone interact. energy: -0.026
local terms energy: -103.725614
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -27.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -237.216703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.216703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.216703 (E_RNA)
where:
Base-Base interactions energy: -131.380
where: short stacking energy: -85.355
Base-Backbone interact. energy: -0.415
local terms energy: -105.421651
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -21.668
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -28.918
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: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -225.251823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.251823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.251823 (E_RNA)
where:
Base-Base interactions energy: -136.316
where: short stacking energy: -80.904
Base-Backbone interact. energy: -0.312
local terms energy: -88.623860
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -20.635
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: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -225.287423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.287423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.287423 (E_RNA)
where:
Base-Base interactions energy: -127.949
where: short stacking energy: -74.887
Base-Backbone interact. energy: -0.025
local terms energy: -97.313214
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -181.382402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.382402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.382402 (E_RNA)
where:
Base-Base interactions energy: -97.337
where: short stacking energy: -50.615
Base-Backbone interact. energy: -0.135
local terms energy: -83.910689
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -13.106
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: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -141.219767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.219767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.219767 (E_RNA)
where:
Base-Base interactions energy: -70.255
where: short stacking energy: -49.398
Base-Backbone interact. energy: -0.184
local terms energy: -70.781478
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -116.683851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.683851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.683851 (E_RNA)
where:
Base-Base interactions energy: -50.506
where: short stacking energy: -49.391
Base-Backbone interact. energy: 0.697
local terms energy: -66.874117
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -21.600
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -9.815
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: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -112.681280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.681280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.681280 (E_RNA)
where:
Base-Base interactions energy: -47.005
where: short stacking energy: -47.005
Base-Backbone interact. energy: -0.195
local terms energy: -65.481746
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -116.628610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.628610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.628610 (E_RNA)
where:
Base-Base interactions energy: -48.928
where: short stacking energy: -35.780
Base-Backbone interact. energy: -0.377
local terms energy: -67.323909
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -113.834988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.834988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.834988 (E_RNA)
where:
Base-Base interactions energy: -46.742
where: short stacking energy: -36.216
Base-Backbone interact. energy: 0.968
local terms energy: -68.060356
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -2.845
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: 24
Temperature: 0.900000
Total energy: -247.972410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.972410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.972410 (E_RNA)
where:
Base-Base interactions energy: -149.055
where: short stacking energy: -85.297
Base-Backbone interact. energy: -1.149
local terms energy: -97.768903
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -19.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -231.606562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.606562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.606562 (E_RNA)
where:
Base-Base interactions energy: -134.085
where: short stacking energy: -81.956
Base-Backbone interact. energy: -0.008
local terms energy: -97.513169
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -24.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -228.286345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.286345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.286345 (E_RNA)
where:
Base-Base interactions energy: -134.564
where: short stacking energy: -77.291
Base-Backbone interact. energy: -0.185
local terms energy: -93.537048
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -21.611
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: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -217.434656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.434656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.434656 (E_RNA)
where:
Base-Base interactions energy: -133.499
where: short stacking energy: -69.539
Base-Backbone interact. energy: -0.054
local terms energy: -83.881669
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -19.641
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -183.729384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.729384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.729384 (E_RNA)
where:
Base-Base interactions energy: -113.331
where: short stacking energy: -73.085
Base-Backbone interact. energy: -0.077
local terms energy: -70.321596
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -12.357
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: 6, replica: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -132.502366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.502366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.502366 (E_RNA)
where:
Base-Base interactions energy: -54.561
where: short stacking energy: -49.837
Base-Backbone interact. energy: -0.721
local terms energy: -77.220490
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -12.788
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: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -132.213942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.213942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.213942 (E_RNA)
where:
Base-Base interactions energy: -44.908
where: short stacking energy: -44.908
Base-Backbone interact. energy: -0.148
local terms energy: -87.157536
where:
bonds (distance) C4'-P energy: -20.775
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -13.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -108.750105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.750105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.750105 (E_RNA)
where:
Base-Base interactions energy: -46.101
where: short stacking energy: -33.090
Base-Backbone interact. energy: -0.675
local terms energy: -61.973394
where:
bonds (distance) C4'-P energy: -8.101
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -2.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -102.371843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.371843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.371843 (E_RNA)
where:
Base-Base interactions energy: -33.237
where: short stacking energy: -33.237
Base-Backbone interact. energy: -0.296
local terms energy: -68.839405
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -114.859425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.859425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.859425 (E_RNA)
where:
Base-Base interactions energy: -42.859
where: short stacking energy: -41.250
Base-Backbone interact. energy: -0.589
local terms energy: -71.411587
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -243.590276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.590276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.590276 (E_RNA)
where:
Base-Base interactions energy: -146.695
where: short stacking energy: -95.721
Base-Backbone interact. energy: -0.677
local terms energy: -96.218516
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -20.625
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: 2, replica: 10
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -234.693330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.693330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.693330 (E_RNA)
where:
Base-Base interactions energy: -139.830
where: short stacking energy: -77.284
Base-Backbone interact. energy: -0.103
local terms energy: -94.760413
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -19.119
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -25.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -236.208889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.208889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.208889 (E_RNA)
where:
Base-Base interactions energy: -138.938
where: short stacking energy: -82.997
Base-Backbone interact. energy: -0.164
local terms energy: -97.106330
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -20.497
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -235.891737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.891737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.891737 (E_RNA)
where:
Base-Base interactions energy: -142.269
where: short stacking energy: -76.327
Base-Backbone interact. energy: -0.341
local terms energy: -93.281552
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -16.620
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -189.636827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.636827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.636827 (E_RNA)
where:
Base-Base interactions energy: -95.668
where: short stacking energy: -54.682
Base-Backbone interact. energy: -0.107
local terms energy: -93.862291
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -23.051
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -131.421723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.421723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.421723 (E_RNA)
where:
Base-Base interactions energy: -49.549
where: short stacking energy: -48.336
Base-Backbone interact. energy: 0.414
local terms energy: -82.286706
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -12.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -171.915701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.915701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.915701 (E_RNA)
where:
Base-Base interactions energy: -87.621
where: short stacking energy: -61.600
Base-Backbone interact. energy: -0.036
local terms energy: -84.258687
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -19.240
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -134.240505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.240505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.240505 (E_RNA)
where:
Base-Base interactions energy: -63.087
where: short stacking energy: -49.735
Base-Backbone interact. energy: -0.015
local terms energy: -71.138798
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -23.234
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -3.510
tors. eta vs tors. theta energy: -12.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -104.774890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.774890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.774890 (E_RNA)
where:
Base-Base interactions energy: -39.935
where: short stacking energy: -18.715
Base-Backbone interact. energy: 3.920
local terms energy: -68.759548
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -100.877058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.877058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.877058 (E_RNA)
where:
Base-Base interactions energy: -41.180
where: short stacking energy: -39.632
Base-Backbone interact. energy: -0.208
local terms energy: -59.489227
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -1.939
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: 1, replica: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -268.792662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.792662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.792662 (E_RNA)
where:
Base-Base interactions energy: -172.604
where: short stacking energy: -105.019
Base-Backbone interact. energy: -0.924
local terms energy: -95.264482
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -26.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -227.569667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.569667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.569667 (E_RNA)
where:
Base-Base interactions energy: -129.668
where: short stacking energy: -86.500
Base-Backbone interact. energy: -0.455
local terms energy: -97.446326
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -20.926
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -20.422
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: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -230.790848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.790848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.790848 (E_RNA)
where:
Base-Base interactions energy: -133.338
where: short stacking energy: -84.024
Base-Backbone interact. energy: -0.022
local terms energy: -97.430441
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -23.254
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -19.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -196.659850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.659850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.659850 (E_RNA)
where:
Base-Base interactions energy: -109.887
where: short stacking energy: -72.383
Base-Backbone interact. energy: -0.037
local terms energy: -86.736659
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -187.475059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.475059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.475059 (E_RNA)
where:
Base-Base interactions energy: -106.326
where: short stacking energy: -52.582
Base-Backbone interact. energy: -1.272
local terms energy: -79.877011
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -134.934282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.934282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.934282 (E_RNA)
where:
Base-Base interactions energy: -55.220
where: short stacking energy: -53.319
Base-Backbone interact. energy: -0.030
local terms energy: -79.684823
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -19.747
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -13.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -170.718017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.718017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.718017 (E_RNA)
where:
Base-Base interactions energy: -93.373
where: short stacking energy: -63.358
Base-Backbone interact. energy: -0.890
local terms energy: -76.454821
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -15.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -117.057963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.057963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.057963 (E_RNA)
where:
Base-Base interactions energy: -51.315
where: short stacking energy: -41.407
Base-Backbone interact. energy: -0.280
local terms energy: -65.463104
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -8.346
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: 9, replica: 5
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -112.466086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.466086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.466086 (E_RNA)
where:
Base-Base interactions energy: -42.074
where: short stacking energy: -31.641
Base-Backbone interact. energy: -0.241
local terms energy: -70.150844
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -23.018
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -103.991554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.991554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.991554 (E_RNA)
where:
Base-Base interactions energy: -31.233
where: short stacking energy: -33.233
Base-Backbone interact. energy: -0.862
local terms energy: -71.896805
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -10.930
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: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -249.538606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.538606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.538606 (E_RNA)
where:
Base-Base interactions energy: -156.507
where: short stacking energy: -90.717
Base-Backbone interact. energy: -0.070
local terms energy: -92.962304
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -24.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -225.986660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.986660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.986660 (E_RNA)
where:
Base-Base interactions energy: -131.019
where: short stacking energy: -85.954
Base-Backbone interact. energy: -0.096
local terms energy: -94.872276
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -243.273884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.273884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.273884 (E_RNA)
where:
Base-Base interactions energy: -156.450
where: short stacking energy: -73.496
Base-Backbone interact. energy: -0.556
local terms energy: -86.267244
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -15.836
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: 4, replica: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -223.318149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.318149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.318149 (E_RNA)
where:
Base-Base interactions energy: -133.491
where: short stacking energy: -77.914
Base-Backbone interact. energy: -0.090
local terms energy: -89.737121
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -19.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -184.847409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.847409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.847409 (E_RNA)
where:
Base-Base interactions energy: -105.187
where: short stacking energy: -51.769
Base-Backbone interact. energy: 0.757
local terms energy: -80.416780
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -12.392
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: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -165.097720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.097720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.097720 (E_RNA)
where:
Base-Base interactions energy: -82.765
where: short stacking energy: -51.413
Base-Backbone interact. energy: -0.486
local terms energy: -81.847352
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -11.290
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: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -126.519332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.519332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.519332 (E_RNA)
where:
Base-Base interactions energy: -54.220
where: short stacking energy: -38.795
Base-Backbone interact. energy: -0.087
local terms energy: -72.211974
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -115.246491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.246491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.246491 (E_RNA)
where:
Base-Base interactions energy: -51.733
where: short stacking energy: -39.055
Base-Backbone interact. energy: -0.708
local terms energy: -62.805079
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: 3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -103.067146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.067146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.067146 (E_RNA)
where:
Base-Base interactions energy: -48.766
where: short stacking energy: -42.254
Base-Backbone interact. energy: -0.150
local terms energy: -54.151608
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -94.646651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.646651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.646651 (E_RNA)
where:
Base-Base interactions energy: -35.843
where: short stacking energy: -32.360
Base-Backbone interact. energy: -0.556
local terms energy: -58.248080
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -1.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -243.861323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.861323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.861323 (E_RNA)
where:
Base-Base interactions energy: -138.981
where: short stacking energy: -95.187
Base-Backbone interact. energy: -0.060
local terms energy: -104.820058
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -19.466
flat angles C4'-P-C4' energy: -25.071
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -29.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -237.814471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.814471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.814471 (E_RNA)
where:
Base-Base interactions energy: -140.338
where: short stacking energy: -82.028
Base-Backbone interact. energy: -1.075
local terms energy: -96.401775
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -15.358
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -245.283554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.283554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.283554 (E_RNA)
where:
Base-Base interactions energy: -150.299
where: short stacking energy: -80.159
Base-Backbone interact. energy: -0.210
local terms energy: -94.774325
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -23.013
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -19.871
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: 4, replica: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -216.024806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.024806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.024806 (E_RNA)
where:
Base-Base interactions energy: -129.262
where: short stacking energy: -77.614
Base-Backbone interact. energy: -0.424
local terms energy: -86.339714
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -15.685
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: 5, replica: 3
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -184.048524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.048524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.048524 (E_RNA)
where:
Base-Base interactions energy: -105.171
where: short stacking energy: -64.425
Base-Backbone interact. energy: -0.047
local terms energy: -78.830325
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -16.640
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: 28
Temperature: 1.150000
Total energy: -167.615689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.615689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.615689 (E_RNA)
where:
Base-Base interactions energy: -92.243
where: short stacking energy: -61.003
Base-Backbone interact. energy: -0.009
local terms energy: -75.362975
where:
bonds (distance) C4'-P energy: -7.411
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -13.433
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: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -129.180278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.180278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.180278 (E_RNA)
where:
Base-Base interactions energy: -49.508
where: short stacking energy: -47.579
Base-Backbone interact. energy: -0.016
local terms energy: -79.656418
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -20.607
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -11.196
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: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -116.168702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.168702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.168702 (E_RNA)
where:
Base-Base interactions energy: -50.289
where: short stacking energy: -41.155
Base-Backbone interact. energy: -0.790
local terms energy: -65.090299
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -102.844057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.844057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.844057 (E_RNA)
where:
Base-Base interactions energy: -32.620
where: short stacking energy: -23.547
Base-Backbone interact. energy: -0.272
local terms energy: -69.951805
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -13.898
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: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -92.978648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.978648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.978648 (E_RNA)
where:
Base-Base interactions energy: -38.191
where: short stacking energy: -32.151
Base-Backbone interact. energy: -0.232
local terms energy: -54.555468
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: 1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -259.559844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.559844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.559844 (E_RNA)
where:
Base-Base interactions energy: -154.227
where: short stacking energy: -89.262
Base-Backbone interact. energy: -0.835
local terms energy: -104.497957
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -26.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -244.961184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.961184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.961184 (E_RNA)
where:
Base-Base interactions energy: -142.586
where: short stacking energy: -79.711
Base-Backbone interact. energy: -0.519
local terms energy: -101.856642
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -22.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -240.486004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.486004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.486004 (E_RNA)
where:
Base-Base interactions energy: -144.612
where: short stacking energy: -85.806
Base-Backbone interact. energy: 2.166
local terms energy: -98.040112
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -21.577
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -22.591
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: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -201.794775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.794775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.794775 (E_RNA)
where:
Base-Base interactions energy: -111.697
where: short stacking energy: -70.333
Base-Backbone interact. energy: -0.125
local terms energy: -89.973038
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -22.267
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: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -200.805413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.805413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.805413 (E_RNA)
where:
Base-Base interactions energy: -118.906
where: short stacking energy: -58.288
Base-Backbone interact. energy: -0.205
local terms energy: -81.694640
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -9.273
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: 6, replica: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -178.015758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.015758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.015758 (E_RNA)
where:
Base-Base interactions energy: -100.154
where: short stacking energy: -54.176
Base-Backbone interact. energy: -0.993
local terms energy: -76.868379
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -124.097874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.097874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.097874 (E_RNA)
where:
Base-Base interactions energy: -56.602
where: short stacking energy: -53.847
Base-Backbone interact. energy: -0.458
local terms energy: -67.038043
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -5.744
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: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -120.914902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.914902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.914902 (E_RNA)
where:
Base-Base interactions energy: -52.220
where: short stacking energy: -38.690
Base-Backbone interact. energy: -0.514
local terms energy: -68.180978
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -8.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -129.439589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.439589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.439589 (E_RNA)
where:
Base-Base interactions energy: -59.105
where: short stacking energy: -45.979
Base-Backbone interact. energy: -1.930
local terms energy: -68.405177
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -6.021
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: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -97.914985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.914985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.914985 (E_RNA)
where:
Base-Base interactions energy: -36.306
where: short stacking energy: -32.705
Base-Backbone interact. energy: -0.166
local terms energy: -61.442983
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: 3.328
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: 1, replica: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -245.229774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.229774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.229774 (E_RNA)
where:
Base-Base interactions energy: -150.740
where: short stacking energy: -78.066
Base-Backbone interact. energy: -0.064
local terms energy: -94.425244
where:
bonds (distance) C4'-P energy: -21.404
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -14.989
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: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -250.863760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.863760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.863760 (E_RNA)
where:
Base-Base interactions energy: -149.918
where: short stacking energy: -87.555
Base-Backbone interact. energy: -0.606
local terms energy: -100.340378
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -23.022
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -18.989
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: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -229.812403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.812403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.812403 (E_RNA)
where:
Base-Base interactions energy: -128.925
where: short stacking energy: -72.532
Base-Backbone interact. energy: -0.306
local terms energy: -100.581554
where:
bonds (distance) C4'-P energy: -19.305
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -21.794
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: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -218.337609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.337609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.337609 (E_RNA)
where:
Base-Base interactions energy: -117.483
where: short stacking energy: -75.400
Base-Backbone interact. energy: -0.726
local terms energy: -100.128896
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -21.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -184.451608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.451608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.451608 (E_RNA)
where:
Base-Base interactions energy: -111.087
where: short stacking energy: -54.944
Base-Backbone interact. energy: -1.491
local terms energy: -71.873806
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -7.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -201.404802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.404802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.404802 (E_RNA)
where:
Base-Base interactions energy: -112.437
where: short stacking energy: -54.813
Base-Backbone interact. energy: -0.336
local terms energy: -88.632357
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -22.586
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -18.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -148.827032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.827032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.827032 (E_RNA)
where:
Base-Base interactions energy: -82.306
where: short stacking energy: -52.203
Base-Backbone interact. energy: -0.482
local terms energy: -66.038764
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -6.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -114.402261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.402261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.402261 (E_RNA)
where:
Base-Base interactions energy: -42.454
where: short stacking energy: -36.191
Base-Backbone interact. energy: -0.419
local terms energy: -71.529138
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -12.825
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: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -112.477063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.477063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.477063 (E_RNA)
where:
Base-Base interactions energy: -47.283
where: short stacking energy: -45.787
Base-Backbone interact. energy: -0.018
local terms energy: -65.176615
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -8.672
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: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -96.757978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.757978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.757978 (E_RNA)
where:
Base-Base interactions energy: -34.170
where: short stacking energy: -34.170
Base-Backbone interact. energy: -0.605
local terms energy: -61.983499
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -9.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -251.303623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.303623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.303623 (E_RNA)
where:
Base-Base interactions energy: -156.684
where: short stacking energy: -76.509
Base-Backbone interact. energy: 0.003
local terms energy: -94.621830
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -20.413
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: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -223.391341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.391341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.391341 (E_RNA)
where:
Base-Base interactions energy: -126.911
where: short stacking energy: -73.968
Base-Backbone interact. energy: -0.350
local terms energy: -96.130539
where:
bonds (distance) C4'-P energy: -19.942
bonds (distance) P-C4' energy: -23.319
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -19.158
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: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -244.045834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.045834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.045834 (E_RNA)
where:
Base-Base interactions energy: -147.475
where: short stacking energy: -79.527
Base-Backbone interact. energy: -0.307
local terms energy: -96.263367
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -22.951
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: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -202.221829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.221829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.221829 (E_RNA)
where:
Base-Base interactions energy: -114.997
where: short stacking energy: -68.797
Base-Backbone interact. energy: -0.207
local terms energy: -87.018454
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -19.095
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -211.451998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.451998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.451998 (E_RNA)
where:
Base-Base interactions energy: -130.037
where: short stacking energy: -49.036
Base-Backbone interact. energy: -0.761
local terms energy: -80.654374
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -11.458
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: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -192.487281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.487281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.487281 (E_RNA)
where:
Base-Base interactions energy: -116.090
where: short stacking energy: -59.511
Base-Backbone interact. energy: -0.896
local terms energy: -75.500951
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -8.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -151.564545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.564545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.564545 (E_RNA)
where:
Base-Base interactions energy: -74.586
where: short stacking energy: -47.683
Base-Backbone interact. energy: -0.124
local terms energy: -76.854665
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -7.434
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: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -127.751445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.751445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.751445 (E_RNA)
where:
Base-Base interactions energy: -54.684
where: short stacking energy: -51.600
Base-Backbone interact. energy: -0.521
local terms energy: -72.546501
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -119.197816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.197816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.197816 (E_RNA)
where:
Base-Base interactions energy: -51.988
where: short stacking energy: -51.988
Base-Backbone interact. energy: 0.159
local terms energy: -67.368629
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -8.207
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: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -108.105334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.105334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.105334 (E_RNA)
where:
Base-Base interactions energy: -43.439
where: short stacking energy: -34.432
Base-Backbone interact. energy: -0.071
local terms energy: -64.595730
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: 0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -259.272756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.272756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.272756 (E_RNA)
where:
Base-Base interactions energy: -167.672
where: short stacking energy: -84.030
Base-Backbone interact. energy: -0.181
local terms energy: -91.419346
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -20.557
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: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -221.731795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.731795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.731795 (E_RNA)
where:
Base-Base interactions energy: -127.497
where: short stacking energy: -80.505
Base-Backbone interact. energy: -0.062
local terms energy: -94.172765
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -22.012
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -244.435326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.435326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.435326 (E_RNA)
where:
Base-Base interactions energy: -141.784
where: short stacking energy: -76.493
Base-Backbone interact. energy: -2.385
local terms energy: -100.266359
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -20.439
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: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -209.423119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.423119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.423119 (E_RNA)
where:
Base-Base interactions energy: -125.487
where: short stacking energy: -66.618
Base-Backbone interact. energy: 0.170
local terms energy: -84.106042
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -18.317
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -12.557
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: 32
Temperature: 1.100000
Total energy: -195.712027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.712027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.712027 (E_RNA)
where:
Base-Base interactions energy: -118.264
where: short stacking energy: -56.039
Base-Backbone interact. energy: -0.267
local terms energy: -77.181148
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -19.590
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -14.693
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: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -203.703150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.703150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.703150 (E_RNA)
where:
Base-Base interactions energy: -123.805
where: short stacking energy: -61.657
Base-Backbone interact. energy: -0.017
local terms energy: -79.881075
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -12.069
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: 7, replica: 5
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -145.597906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.597906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.597906 (E_RNA)
where:
Base-Base interactions energy: -74.433
where: short stacking energy: -46.749
Base-Backbone interact. energy: -1.048
local terms energy: -70.116874
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -7.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -128.938356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.938356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.938356 (E_RNA)
where:
Base-Base interactions energy: -60.257
where: short stacking energy: -39.986
Base-Backbone interact. energy: -0.417
local terms energy: -68.264428
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -3.528
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: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -108.131723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.131723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.131723 (E_RNA)
where:
Base-Base interactions energy: -45.265
where: short stacking energy: -36.691
Base-Backbone interact. energy: -0.432
local terms energy: -62.434943
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -20.909
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -4.464
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: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -91.575983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.575983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.575983 (E_RNA)
where:
Base-Base interactions energy: -32.147
where: short stacking energy: -31.496
Base-Backbone interact. energy: 1.616
local terms energy: -61.044936
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -264.640450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.640450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.640450 (E_RNA)
where:
Base-Base interactions energy: -175.184
where: short stacking energy: -85.500
Base-Backbone interact. energy: -0.029
local terms energy: -89.428184
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -269.676623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.676623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.676623 (E_RNA)
where:
Base-Base interactions energy: -173.523
where: short stacking energy: -91.043
Base-Backbone interact. energy: -0.596
local terms energy: -95.557645
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -23.803
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: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -233.056739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.056739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.056739 (E_RNA)
where:
Base-Base interactions energy: -135.654
where: short stacking energy: -84.035
Base-Backbone interact. energy: 0.995
local terms energy: -98.398182
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -23.735
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -21.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -214.305934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.305934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.305934 (E_RNA)
where:
Base-Base interactions energy: -132.148
where: short stacking energy: -61.665
Base-Backbone interact. energy: -0.854
local terms energy: -81.304515
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -16.886
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: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -171.737303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.737303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.737303 (E_RNA)
where:
Base-Base interactions energy: -92.593
where: short stacking energy: -50.757
Base-Backbone interact. energy: -0.198
local terms energy: -78.946026
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -164.419058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.419058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.419058 (E_RNA)
where:
Base-Base interactions energy: -80.281
where: short stacking energy: -55.272
Base-Backbone interact. energy: -0.095
local terms energy: -84.043156
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -11.851
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: 7, replica: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -152.258563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.258563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.258563 (E_RNA)
where:
Base-Base interactions energy: -79.841
where: short stacking energy: -52.111
Base-Backbone interact. energy: -0.142
local terms energy: -72.274940
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -4.806
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: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -120.589817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.589817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.589817 (E_RNA)
where:
Base-Base interactions energy: -55.972
where: short stacking energy: -46.371
Base-Backbone interact. energy: -0.329
local terms energy: -64.288736
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -106.123023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.123023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.123023 (E_RNA)
where:
Base-Base interactions energy: -43.165
where: short stacking energy: -43.165
Base-Backbone interact. energy: 0.227
local terms energy: -63.185454
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -1.840
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: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -99.862927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.862927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.862927 (E_RNA)
where:
Base-Base interactions energy: -38.573
where: short stacking energy: -37.052
Base-Backbone interact. energy: 5.076
local terms energy: -66.365157
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -6.337
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: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -281.932765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.932765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.932765 (E_RNA)
where:
Base-Base interactions energy: -184.793
where: short stacking energy: -101.940
Base-Backbone interact. energy: -0.934
local terms energy: -96.205869
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -25.862
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: 10
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -247.240879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.240879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.240879 (E_RNA)
where:
Base-Base interactions energy: -148.094
where: short stacking energy: -78.272
Base-Backbone interact. energy: -1.533
local terms energy: -97.613981
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -23.676
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: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -220.796144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.796144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.796144 (E_RNA)
where:
Base-Base interactions energy: -139.446
where: short stacking energy: -63.056
Base-Backbone interact. energy: 0.647
local terms energy: -81.997039
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -203.129402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.129402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.129402 (E_RNA)
where:
Base-Base interactions energy: -116.732
where: short stacking energy: -69.823
Base-Backbone interact. energy: -0.581
local terms energy: -85.816436
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -18.704
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: 6
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -189.715600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.715600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.715600 (E_RNA)
where:
Base-Base interactions energy: -107.222
where: short stacking energy: -58.734
Base-Backbone interact. energy: 0.055
local terms energy: -82.549014
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -14.086
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: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -151.814919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.814919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.814919 (E_RNA)
where:
Base-Base interactions energy: -80.124
where: short stacking energy: -49.391
Base-Backbone interact. energy: -1.009
local terms energy: -70.681385
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -148.948753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.948753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.948753 (E_RNA)
where:
Base-Base interactions energy: -77.984
where: short stacking energy: -49.308
Base-Backbone interact. energy: 1.544
local terms energy: -72.508317
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -7.404
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: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -124.043572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.043572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.043572 (E_RNA)
where:
Base-Base interactions energy: -58.705
where: short stacking energy: -33.762
Base-Backbone interact. energy: 2.908
local terms energy: -68.245820
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -3.731
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: 34
Temperature: 1.300000
Total energy: -117.415131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.415131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.415131 (E_RNA)
where:
Base-Base interactions energy: -55.785
where: short stacking energy: -42.279
Base-Backbone interact. energy: -0.281
local terms energy: -61.349432
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -96.535177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.535177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.535177 (E_RNA)
where:
Base-Base interactions energy: -26.304
where: short stacking energy: -24.641
Base-Backbone interact. energy: -0.265
local terms energy: -69.966106
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -12.083
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: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -271.817396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.817396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.817396 (E_RNA)
where:
Base-Base interactions energy: -170.506
where: short stacking energy: -89.571
Base-Backbone interact. energy: -0.943
local terms energy: -100.368547
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -21.971
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -25.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -236.992699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.992699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.992699 (E_RNA)
where:
Base-Base interactions energy: -155.957
where: short stacking energy: -76.135
Base-Backbone interact. energy: -0.139
local terms energy: -80.897364
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -14.789
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: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -228.487100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.487100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.487100 (E_RNA)
where:
Base-Base interactions energy: -130.498
where: short stacking energy: -88.902
Base-Backbone interact. energy: -0.218
local terms energy: -97.770729
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -22.186
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -25.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -217.225978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.225978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.225978 (E_RNA)
where:
Base-Base interactions energy: -129.275
where: short stacking energy: -65.197
Base-Backbone interact. energy: -0.040
local terms energy: -87.911668
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -24.829
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -211.001867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.001867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.001867 (E_RNA)
where:
Base-Base interactions energy: -122.433
where: short stacking energy: -71.335
Base-Backbone interact. energy: -0.023
local terms energy: -88.546294
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -24.182
flat angles P-C4'-P energy: -14.082
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: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -163.749845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.749845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.749845 (E_RNA)
where:
Base-Base interactions energy: -83.124
where: short stacking energy: -48.678
Base-Backbone interact. energy: -0.145
local terms energy: -80.480388
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -12.837
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: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -126.749719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.749719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.749719 (E_RNA)
where:
Base-Base interactions energy: -47.354
where: short stacking energy: -45.786
Base-Backbone interact. energy: -0.126
local terms energy: -79.269188
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -10.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -113.008989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.008989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.008989 (E_RNA)
where:
Base-Base interactions energy: -54.053
where: short stacking energy: -41.847
Base-Backbone interact. energy: -0.967
local terms energy: -57.989399
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -4.199
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: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -105.362179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.362179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.362179 (E_RNA)
where:
Base-Base interactions energy: -38.879
where: short stacking energy: -33.303
Base-Backbone interact. energy: -0.521
local terms energy: -65.961589
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -4.820
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: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -99.897670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.897670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.897670 (E_RNA)
where:
Base-Base interactions energy: -42.324
where: short stacking energy: -32.419
Base-Backbone interact. energy: 0.715
local terms energy: -58.289214
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -18.618
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -256.638302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.638302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.638302 (E_RNA)
where:
Base-Base interactions energy: -160.472
where: short stacking energy: -88.566
Base-Backbone interact. energy: -0.603
local terms energy: -95.563021
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -20.320
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: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -227.927300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.927300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.927300 (E_RNA)
where:
Base-Base interactions energy: -135.302
where: short stacking energy: -79.571
Base-Backbone interact. energy: -0.219
local terms energy: -92.405836
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -21.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -227.562357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.562357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.562357 (E_RNA)
where:
Base-Base interactions energy: -129.921
where: short stacking energy: -78.559
Base-Backbone interact. energy: -0.102
local terms energy: -97.538735
where:
bonds (distance) C4'-P energy: -18.894
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -22.472
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -24.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -195.767378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.767378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.767378 (E_RNA)
where:
Base-Base interactions energy: -117.335
where: short stacking energy: -63.410
Base-Backbone interact. energy: -0.500
local terms energy: -77.933223
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -12.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -197.433186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.433186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.433186 (E_RNA)
where:
Base-Base interactions energy: -111.824
where: short stacking energy: -67.517
Base-Backbone interact. energy: -0.293
local terms energy: -85.316219
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -15.388
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: 6, replica: 4
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -171.858445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.858445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.858445 (E_RNA)
where:
Base-Base interactions energy: -91.633
where: short stacking energy: -58.260
Base-Backbone interact. energy: -0.096
local terms energy: -80.129387
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -19.893
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -10.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -150.010128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.010128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.010128 (E_RNA)
where:
Base-Base interactions energy: -74.670
where: short stacking energy: -48.373
Base-Backbone interact. energy: -0.158
local terms energy: -75.182203
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -17.053
flat angles C4'-P-C4' energy: -22.804
flat angles P-C4'-P energy: -10.178
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: 8, replica: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -112.105580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.105580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.105580 (E_RNA)
where:
Base-Base interactions energy: -51.470
where: short stacking energy: -48.664
Base-Backbone interact. energy: 0.973
local terms energy: -61.608400
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -6.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -108.464948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.464948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.464948 (E_RNA)
where:
Base-Base interactions energy: -45.663
where: short stacking energy: -38.084
Base-Backbone interact. energy: -0.438
local terms energy: -62.364331
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: 0.624
tors. eta vs tors. theta energy: -6.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -110.392442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.392442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.392442 (E_RNA)
where:
Base-Base interactions energy: -48.748
where: short stacking energy: -41.872
Base-Backbone interact. energy: -0.425
local terms energy: -61.219188
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -267.336579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.336579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.336579 (E_RNA)
where:
Base-Base interactions energy: -156.116
where: short stacking energy: -100.671
Base-Backbone interact. energy: 0.069
local terms energy: -111.289265
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -24.342
flat angles C4'-P-C4' energy: -23.893
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -27.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -241.692085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.692085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.692085 (E_RNA)
where:
Base-Base interactions energy: -144.972
where: short stacking energy: -85.004
Base-Backbone interact. energy: -1.006
local terms energy: -95.713315
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -23.079
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: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -223.607856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.607856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.607856 (E_RNA)
where:
Base-Base interactions energy: -136.469
where: short stacking energy: -79.242
Base-Backbone interact. energy: 1.148
local terms energy: -88.286420
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -19.579
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: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -214.517203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.517203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.517203 (E_RNA)
where:
Base-Base interactions energy: -121.657
where: short stacking energy: -73.022
Base-Backbone interact. energy: -1.116
local terms energy: -91.744101
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -24.622
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -13.518
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: 5, replica: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -175.975318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.975318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.975318 (E_RNA)
where:
Base-Base interactions energy: -99.721
where: short stacking energy: -55.191
Base-Backbone interact. energy: -0.224
local terms energy: -76.030545
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -14.121
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: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -167.203291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.203291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.203291 (E_RNA)
where:
Base-Base interactions energy: -94.089
where: short stacking energy: -56.283
Base-Backbone interact. energy: -0.921
local terms energy: -72.192986
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -153.502891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.502891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.502891 (E_RNA)
where:
Base-Base interactions energy: -82.499
where: short stacking energy: -43.094
Base-Backbone interact. energy: -1.143
local terms energy: -69.860309
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -7.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -114.602842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.602842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.602842 (E_RNA)
where:
Base-Base interactions energy: -63.240
where: short stacking energy: -30.110
Base-Backbone interact. energy: -0.399
local terms energy: -50.963890
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: 2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -105.306655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.306655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.306655 (E_RNA)
where:
Base-Base interactions energy: -52.592
where: short stacking energy: -37.685
Base-Backbone interact. energy: 0.589
local terms energy: -53.303544
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -2.082
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: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -99.049992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.049992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.049992 (E_RNA)
where:
Base-Base interactions energy: -36.702
where: short stacking energy: -28.990
Base-Backbone interact. energy: -0.434
local terms energy: -61.914128
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: 0.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -255.820698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.820698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.820698 (E_RNA)
where:
Base-Base interactions energy: -155.023
where: short stacking energy: -87.657
Base-Backbone interact. energy: -0.211
local terms energy: -100.586084
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -25.141
flat angles C4'-P-C4' energy: -22.423
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -21.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -221.886563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.886563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.886563 (E_RNA)
where:
Base-Base interactions energy: -136.175
where: short stacking energy: -81.543
Base-Backbone interact. energy: -0.047
local terms energy: -85.664287
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -221.769981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.769981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.769981 (E_RNA)
where:
Base-Base interactions energy: -129.042
where: short stacking energy: -79.581
Base-Backbone interact. energy: -0.039
local terms energy: -92.689051
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -16.383
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -198.514183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.514183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.514183 (E_RNA)
where:
Base-Base interactions energy: -112.566
where: short stacking energy: -68.751
Base-Backbone interact. energy: -0.616
local terms energy: -85.332142
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -180.940050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.940050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.940050 (E_RNA)
where:
Base-Base interactions energy: -101.761
where: short stacking energy: -63.911
Base-Backbone interact. energy: -0.363
local terms energy: -78.816064
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -6.716
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: 38
Temperature: 1.150000
Total energy: -167.375434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.375434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.375434 (E_RNA)
where:
Base-Base interactions energy: -83.277
where: short stacking energy: -49.522
Base-Backbone interact. energy: -0.338
local terms energy: -83.760475
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -18.383
tors. eta vs tors. theta energy: -9.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -151.951972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.951972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.951972 (E_RNA)
where:
Base-Base interactions energy: -89.541
where: short stacking energy: -57.561
Base-Backbone interact. energy: -0.894
local terms energy: -61.517574
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -7.645
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: 8, replica: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -123.011461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.011461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.011461 (E_RNA)
where:
Base-Base interactions energy: -49.606
where: short stacking energy: -43.128
Base-Backbone interact. energy: -0.059
local terms energy: -73.345640
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -7.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -106.149288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.149288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.149288 (E_RNA)
where:
Base-Base interactions energy: -43.286
where: short stacking energy: -33.619
Base-Backbone interact. energy: -0.347
local terms energy: -62.516364
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -94.943905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.943905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.943905 (E_RNA)
where:
Base-Base interactions energy: -45.476
where: short stacking energy: -45.476
Base-Backbone interact. energy: -0.180
local terms energy: -49.288525
where:
bonds (distance) C4'-P energy: -5.958
bonds (distance) P-C4' energy: -16.341
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -263.000916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.000916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.000916 (E_RNA)
where:
Base-Base interactions energy: -157.284
where: short stacking energy: -85.605
Base-Backbone interact. energy: -0.313
local terms energy: -105.403913
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -16.789
tors. eta vs tors. theta energy: -27.526
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: 2, replica: 10
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -244.030235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.030235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.030235 (E_RNA)
where:
Base-Base interactions energy: -143.150
where: short stacking energy: -87.797
Base-Backbone interact. energy: -0.004
local terms energy: -100.876535
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -25.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -238.497134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.497134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.497134 (E_RNA)
where:
Base-Base interactions energy: -150.999
where: short stacking energy: -69.742
Base-Backbone interact. energy: -0.047
local terms energy: -87.451044
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -21.332
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: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -229.017503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.017503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.017503 (E_RNA)
where:
Base-Base interactions energy: -139.724
where: short stacking energy: -86.205
Base-Backbone interact. energy: -0.028
local terms energy: -89.265223
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -27.960
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: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -185.121929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.121929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.121929 (E_RNA)
where:
Base-Base interactions energy: -101.072
where: short stacking energy: -59.702
Base-Backbone interact. energy: -0.081
local terms energy: -83.968833
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -15.711
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: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -169.615714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.615714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.615714 (E_RNA)
where:
Base-Base interactions energy: -93.780
where: short stacking energy: -62.791
Base-Backbone interact. energy: -0.076
local terms energy: -75.759599
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -19.136
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -188.614437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.614437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.614437 (E_RNA)
where:
Base-Base interactions energy: -100.926
where: short stacking energy: -48.954
Base-Backbone interact. energy: -0.041
local terms energy: -87.647247
where:
bonds (distance) C4'-P energy: -21.350
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -10.154
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: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -114.811385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.811385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.811385 (E_RNA)
where:
Base-Base interactions energy: -44.074
where: short stacking energy: -43.715
Base-Backbone interact. energy: -0.430
local terms energy: -70.307521
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -110.637238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.637238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.637238 (E_RNA)
where:
Base-Base interactions energy: -42.732
where: short stacking energy: -26.795
Base-Backbone interact. energy: -0.279
local terms energy: -67.626262
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -105.110835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.110835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.110835 (E_RNA)
where:
Base-Base interactions energy: -39.452
where: short stacking energy: -39.452
Base-Backbone interact. energy: -0.178
local terms energy: -65.481069
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -251.312774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.312774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.312774 (E_RNA)
where:
Base-Base interactions energy: -153.484
where: short stacking energy: -94.451
Base-Backbone interact. energy: -0.004
local terms energy: -97.824708
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -21.463
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: 40
Temperature: 0.950000
Total energy: -254.329183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.329183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.329183 (E_RNA)
where:
Base-Base interactions energy: -155.737
where: short stacking energy: -88.576
Base-Backbone interact. energy: -0.093
local terms energy: -98.499794
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -15.289
tors. eta vs tors. theta energy: -21.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -207.188206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.188206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.188206 (E_RNA)
where:
Base-Base interactions energy: -112.398
where: short stacking energy: -68.746
Base-Backbone interact. energy: -0.149
local terms energy: -94.641279
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -15.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -226.274648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.274648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.274648 (E_RNA)
where:
Base-Base interactions energy: -143.808
where: short stacking energy: -56.699
Base-Backbone interact. energy: -0.462
local terms energy: -82.004697
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: -16.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -177.880706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.880706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.880706 (E_RNA)
where:
Base-Base interactions energy: -107.383
where: short stacking energy: -63.441
Base-Backbone interact. energy: -0.269
local terms energy: -70.229352
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -161.328272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.328272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.328272 (E_RNA)
where:
Base-Base interactions energy: -92.655
where: short stacking energy: -52.952
Base-Backbone interact. energy: -0.418
local terms energy: -68.255001
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -6.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -173.713664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.713664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.713664 (E_RNA)
where:
Base-Base interactions energy: -92.260
where: short stacking energy: -54.582
Base-Backbone interact. energy: 0.695
local terms energy: -82.148404
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -19.801
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -13.042
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: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -130.097380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.097380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.097380 (E_RNA)
where:
Base-Base interactions energy: -61.176
where: short stacking energy: -41.780
Base-Backbone interact. energy: -0.965
local terms energy: -67.956248
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -5.639
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: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -111.975712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.975712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.975712 (E_RNA)
where:
Base-Base interactions energy: -48.847
where: short stacking energy: -45.776
Base-Backbone interact. energy: -0.179
local terms energy: -62.949535
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -0.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -108.676159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.676159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.676159 (E_RNA)
where:
Base-Base interactions energy: -42.835
where: short stacking energy: -32.429
Base-Backbone interact. energy: -0.207
local terms energy: -65.633797
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -219.466655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.466655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.466655 (E_RNA)
where:
Base-Base interactions energy: -131.820
where: short stacking energy: -79.103
Base-Backbone interact. energy: 0.201
local terms energy: -87.847658
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -262.113718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.113718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.113718 (E_RNA)
where:
Base-Base interactions energy: -159.608
where: short stacking energy: -81.115
Base-Backbone interact. energy: -0.362
local terms energy: -102.144337
where:
bonds (distance) C4'-P energy: -23.230
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -24.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -206.811701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.811701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.811701 (E_RNA)
where:
Base-Base interactions energy: -122.310
where: short stacking energy: -76.764
Base-Backbone interact. energy: -0.134
local terms energy: -84.368385
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -215.747030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.747030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.747030 (E_RNA)
where:
Base-Base interactions energy: -121.530
where: short stacking energy: -69.771
Base-Backbone interact. energy: -0.994
local terms energy: -93.222650
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -21.878
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -15.316
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: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -182.858149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.858149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.858149 (E_RNA)
where:
Base-Base interactions energy: -99.574
where: short stacking energy: -48.568
Base-Backbone interact. energy: -0.551
local terms energy: -82.732428
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -11.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -169.636657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.636657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.636657 (E_RNA)
where:
Base-Base interactions energy: -95.375
where: short stacking energy: -56.201
Base-Backbone interact. energy: -0.089
local terms energy: -74.172112
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -14.317
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: 41
Temperature: 1.200000
Total energy: -163.276456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.276456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.276456 (E_RNA)
where:
Base-Base interactions energy: -85.920
where: short stacking energy: -40.783
Base-Backbone interact. energy: -0.212
local terms energy: -77.144777
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -6.185
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: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -108.110344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.110344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.110344 (E_RNA)
where:
Base-Base interactions energy: -39.395
where: short stacking energy: -35.362
Base-Backbone interact. energy: -0.172
local terms energy: -68.543450
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -10.820
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: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -99.823192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.823192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.823192 (E_RNA)
where:
Base-Base interactions energy: -50.545
where: short stacking energy: -35.217
Base-Backbone interact. energy: 0.439
local terms energy: -49.717096
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -10.125
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: 4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -134.830720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.830720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.830720 (E_RNA)
where:
Base-Base interactions energy: -75.292
where: short stacking energy: -51.076
Base-Backbone interact. energy: -1.163
local terms energy: -58.375834
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -9.172
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)
out arg RESULTS//1/RND30-7ad9ce6c_01
��������
==================================
temp. level: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -262.116177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.116177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.116177 (E_RNA)
where:
Base-Base interactions energy: -165.714
where: short stacking energy: -92.956
Base-Backbone interact. energy: -0.099
local terms energy: -96.302276
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -24.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -217.747951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.747951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.747951 (E_RNA)
where:
Base-Base interactions energy: -122.841
where: short stacking energy: -77.041
Base-Backbone interact. energy: -0.047
local terms energy: -94.859634
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -16.045
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: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -222.922926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.922926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.922926 (E_RNA)
where:
Base-Base interactions energy: -140.499
where: short stacking energy: -64.734
Base-Backbone interact. energy: -0.405
local terms energy: -82.019348
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -17.484
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: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -211.468333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.468333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.468333 (E_RNA)
where:
Base-Base interactions energy: -122.818
where: short stacking energy: -78.277
Base-Backbone interact. energy: 0.032
local terms energy: -88.682616
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -14.660
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: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -189.388075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.388075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.388075 (E_RNA)
where:
Base-Base interactions energy: -99.820
where: short stacking energy: -69.673
Base-Backbone interact. energy: -0.070
local terms energy: -89.498126
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -24.829
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -13.454
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: 6, replica: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -130.710130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.710130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.710130 (E_RNA)
where:
Base-Base interactions energy: -64.768
where: short stacking energy: -40.340
Base-Backbone interact. energy: -1.050
local terms energy: -64.892738
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -18.917
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -121.563195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.563195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.563195 (E_RNA)
where:
Base-Base interactions energy: -47.667
where: short stacking energy: -45.345
Base-Backbone interact. energy: -0.058
local terms energy: -73.838706
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -13.462
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: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -170.585821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.585821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.585821 (E_RNA)
where:
Base-Base interactions energy: -104.731
where: short stacking energy: -56.716
Base-Backbone interact. energy: -0.155
local terms energy: -65.700476
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -9.373
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: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -115.204922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.204922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.204922 (E_RNA)
where:
Base-Base interactions energy: -62.754
where: short stacking energy: -30.589
Base-Backbone interact. energy: -0.280
local terms energy: -52.170698
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -5.111
tors. eta vs tors. theta energy: 2.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -109.353330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.353330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.353330 (E_RNA)
where:
Base-Base interactions energy: -42.201
where: short stacking energy: -39.549
Base-Backbone interact. energy: -0.348
local terms energy: -66.803609
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -263.908211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.908211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.908211 (E_RNA)
where:
Base-Base interactions energy: -171.321
where: short stacking energy: -87.531
Base-Backbone interact. energy: -0.113
local terms energy: -92.473801
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -22.519
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -229.887009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.887009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.887009 (E_RNA)
where:
Base-Base interactions energy: -145.541
where: short stacking energy: -68.543
Base-Backbone interact. energy: -0.434
local terms energy: -83.912217
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -17.459
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: 3, replica: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -232.387489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.387489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.387489 (E_RNA)
where:
Base-Base interactions energy: -138.949
where: short stacking energy: -74.966
Base-Backbone interact. energy: 0.715
local terms energy: -94.153313
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -23.258
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: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -208.345873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.345873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.345873 (E_RNA)
where:
Base-Base interactions energy: -122.522
where: short stacking energy: -72.122
Base-Backbone interact. energy: -1.267
local terms energy: -84.556745
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -19.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -166.220961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.220961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.220961 (E_RNA)
where:
Base-Base interactions energy: -89.091
where: short stacking energy: -49.061
Base-Backbone interact. energy: -0.250
local terms energy: -76.879686
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -116.785296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.785296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.785296 (E_RNA)
where:
Base-Base interactions energy: -49.414
where: short stacking energy: -49.414
Base-Backbone interact. energy: -0.537
local terms energy: -66.833801
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -8.526
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: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -124.556848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.556848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.556848 (E_RNA)
where:
Base-Base interactions energy: -48.667
where: short stacking energy: -47.478
Base-Backbone interact. energy: -0.155
local terms energy: -75.735370
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -141.463085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.463085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.463085 (E_RNA)
where:
Base-Base interactions energy: -83.368
where: short stacking energy: -44.374
Base-Backbone interact. energy: 0.547
local terms energy: -58.642338
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -17.211
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -151.081613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.081613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.081613 (E_RNA)
where:
Base-Base interactions energy: -95.495
where: short stacking energy: -48.652
Base-Backbone interact. energy: -1.090
local terms energy: -54.496316
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -99.627215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.627215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.627215 (E_RNA)
where:
Base-Base interactions energy: -37.565
where: short stacking energy: -25.663
Base-Backbone interact. energy: -0.170
local terms energy: -61.892524
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -266.519022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.519022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.519022 (E_RNA)
where:
Base-Base interactions energy: -171.628
where: short stacking energy: -82.471
Base-Backbone interact. energy: -0.642
local terms energy: -94.248431
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -22.238
flat angles P-C4'-P energy: -15.102
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: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -220.743661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.743661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.743661 (E_RNA)
where:
Base-Base interactions energy: -129.849
where: short stacking energy: -74.761
Base-Backbone interact. energy: 0.481
local terms energy: -91.375674
where:
bonds (distance) C4'-P energy: -19.770
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -15.466
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: 3, replica: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -208.002132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.002132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.002132 (E_RNA)
where:
Base-Base interactions energy: -112.603
where: short stacking energy: -63.365
Base-Backbone interact. energy: -2.434
local terms energy: -92.965371
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -211.725671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.725671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.725671 (E_RNA)
where:
Base-Base interactions energy: -120.504
where: short stacking energy: -79.232
Base-Backbone interact. energy: -0.007
local terms energy: -91.214606
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -20.536
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -19.579
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: 5, replica: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -161.815807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.815807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.815807 (E_RNA)
where:
Base-Base interactions energy: -84.508
where: short stacking energy: -52.371
Base-Backbone interact. energy: -0.151
local terms energy: -77.157576
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -11.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -155.984366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.984366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.984366 (E_RNA)
where:
Base-Base interactions energy: -85.983
where: short stacking energy: -47.250
Base-Backbone interact. energy: -0.117
local terms energy: -69.884461
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -24.291
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -10.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -160.776468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.776468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.776468 (E_RNA)
where:
Base-Base interactions energy: -91.521
where: short stacking energy: -49.487
Base-Backbone interact. energy: -0.017
local terms energy: -69.237660
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -12.480
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: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -119.155241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.155241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.155241 (E_RNA)
where:
Base-Base interactions energy: -54.333
where: short stacking energy: -38.214
Base-Backbone interact. energy: -0.262
local terms energy: -64.560439
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -104.834261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.834261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.834261 (E_RNA)
where:
Base-Base interactions energy: -48.274
where: short stacking energy: -45.458
Base-Backbone interact. energy: 4.068
local terms energy: -60.628686
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -1.359
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: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -96.192887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.192887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.192887 (E_RNA)
where:
Base-Base interactions energy: -44.948
where: short stacking energy: -41.556
Base-Backbone interact. energy: -0.391
local terms energy: -50.853713
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -270.640128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.640128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.640128 (E_RNA)
where:
Base-Base interactions energy: -169.272
where: short stacking energy: -93.907
Base-Backbone interact. energy: -0.002
local terms energy: -101.365762
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -23.851
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -23.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -239.761346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.761346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.761346 (E_RNA)
where:
Base-Base interactions energy: -144.204
where: short stacking energy: -71.954
Base-Backbone interact. energy: -1.056
local terms energy: -94.501319
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -22.716
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -16.591
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: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -219.723340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.723340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.723340 (E_RNA)
where:
Base-Base interactions energy: -123.105
where: short stacking energy: -72.831
Base-Backbone interact. energy: -0.583
local terms energy: -96.035897
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -17.377
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: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -221.827436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.827436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.827436 (E_RNA)
where:
Base-Base interactions energy: -121.719
where: short stacking energy: -82.348
Base-Backbone interact. energy: -0.935
local terms energy: -99.173857
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -22.779
flat angles P-C4'-P energy: -17.590
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -165.367808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.367808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.367808 (E_RNA)
where:
Base-Base interactions energy: -86.888
where: short stacking energy: -51.307
Base-Backbone interact. energy: -0.102
local terms energy: -78.377820
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -6.543
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: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -161.416559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.416559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.416559 (E_RNA)
where:
Base-Base interactions energy: -91.614
where: short stacking energy: -52.886
Base-Backbone interact. energy: -0.700
local terms energy: -69.102644
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -9.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -161.942431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.942431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.942431 (E_RNA)
where:
Base-Base interactions energy: -94.755
where: short stacking energy: -48.790
Base-Backbone interact. energy: -0.143
local terms energy: -67.043944
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -6.167
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: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -116.646192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.646192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.646192 (E_RNA)
where:
Base-Base interactions energy: -46.563
where: short stacking energy: -30.454
Base-Backbone interact. energy: -0.315
local terms energy: -69.767778
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: 2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -101.948172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.948172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.948172 (E_RNA)
where:
Base-Base interactions energy: -37.259
where: short stacking energy: -35.206
Base-Backbone interact. energy: -0.806
local terms energy: -63.882787
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -111.920510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.920510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.920510 (E_RNA)
where:
Base-Base interactions energy: -51.733
where: short stacking energy: -37.830
Base-Backbone interact. energy: -0.189
local terms energy: -59.998608
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -3.934
tors. eta vs tors. theta energy: -3.597
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -270.092208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.092208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.092208 (E_RNA)
where:
Base-Base interactions energy: -171.464
where: short stacking energy: -65.359
Base-Backbone interact. energy: -0.221
local terms energy: -98.407176
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -24.225
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -18.583
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: 10
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -240.683935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.683935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.683935 (E_RNA)
where:
Base-Base interactions energy: -158.232
where: short stacking energy: -70.195
Base-Backbone interact. energy: 1.203
local terms energy: -83.655204
where:
bonds (distance) C4'-P energy: -20.225
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -14.301
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: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -212.761244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.761244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.761244 (E_RNA)
where:
Base-Base interactions energy: -125.346
where: short stacking energy: -73.870
Base-Backbone interact. energy: -1.224
local terms energy: -86.191604
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -242.664315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.664315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.664315 (E_RNA)
where:
Base-Base interactions energy: -139.660
where: short stacking energy: -85.524
Base-Backbone interact. energy: -1.747
local terms energy: -101.257240
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -25.335
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -24.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -196.407705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.407705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.407705 (E_RNA)
where:
Base-Base interactions energy: -112.036
where: short stacking energy: -68.261
Base-Backbone interact. energy: -0.583
local terms energy: -83.788625
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -20.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -156.379198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.379198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.379198 (E_RNA)
where:
Base-Base interactions energy: -90.298
where: short stacking energy: -56.311
Base-Backbone interact. energy: 0.156
local terms energy: -66.237817
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -166.106745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.106745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.106745 (E_RNA)
where:
Base-Base interactions energy: -99.497
where: short stacking energy: -61.224
Base-Backbone interact. energy: -0.195
local terms energy: -66.415267
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -13.083
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: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -108.397616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.397616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.397616 (E_RNA)
where:
Base-Base interactions energy: -42.031
where: short stacking energy: -38.867
Base-Backbone interact. energy: -0.790
local terms energy: -65.576209
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: 2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -107.517209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.517209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.517209 (E_RNA)
where:
Base-Base interactions energy: -41.560
where: short stacking energy: -33.465
Base-Backbone interact. energy: 0.681
local terms energy: -66.637591
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -89.716330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.716330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.716330 (E_RNA)
where:
Base-Base interactions energy: -44.519
where: short stacking energy: -12.347
Base-Backbone interact. energy: 0.528
local terms energy: -45.725219
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -6.683
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: 6.814
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -261.417106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.417106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.417106 (E_RNA)
where:
Base-Base interactions energy: -169.443
where: short stacking energy: -78.100
Base-Backbone interact. energy: -1.004
local terms energy: -90.970102
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -17.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -239.745398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.745398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.745398 (E_RNA)
where:
Base-Base interactions energy: -144.336
where: short stacking energy: -84.658
Base-Backbone interact. energy: -0.076
local terms energy: -95.333911
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -23.756
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -18.379
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: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -250.819081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.819081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.819081 (E_RNA)
where:
Base-Base interactions energy: -157.554
where: short stacking energy: -82.875
Base-Backbone interact. energy: -0.380
local terms energy: -92.884910
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -23.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -224.352810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.352810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.352810 (E_RNA)
where:
Base-Base interactions energy: -134.557
where: short stacking energy: -75.977
Base-Backbone interact. energy: -0.058
local terms energy: -89.737729
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -19.494
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: 47
Temperature: 1.100000
Total energy: -190.561624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.561624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.561624 (E_RNA)
where:
Base-Base interactions energy: -120.840
where: short stacking energy: -70.349
Base-Backbone interact. energy: -0.808
local terms energy: -68.913999
where:
bonds (distance) C4'-P energy: -6.821
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -10.858
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: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -217.853433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.853433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.853433 (E_RNA)
where:
Base-Base interactions energy: -134.513
where: short stacking energy: -56.029
Base-Backbone interact. energy: -0.294
local terms energy: -83.045617
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -11.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -115.734252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.734252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.734252 (E_RNA)
where:
Base-Base interactions energy: -43.722
where: short stacking energy: -33.478
Base-Backbone interact. energy: -0.281
local terms energy: -71.730767
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -120.213183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.213183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.213183 (E_RNA)
where:
Base-Base interactions energy: -50.018
where: short stacking energy: -48.448
Base-Backbone interact. energy: 5.905
local terms energy: -76.100153
where:
bonds (distance) C4'-P energy: -20.470
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -112.081512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.081512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.081512 (E_RNA)
where:
Base-Base interactions energy: -49.451
where: short stacking energy: -43.484
Base-Backbone interact. energy: -1.278
local terms energy: -61.353296
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -101.401832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.401832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.401832 (E_RNA)
where:
Base-Base interactions energy: -45.128
where: short stacking energy: -41.683
Base-Backbone interact. energy: -0.549
local terms energy: -55.724712
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -10.251
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -5.039
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -252.406690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.406690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.406690 (E_RNA)
where:
Base-Base interactions energy: -151.022
where: short stacking energy: -90.925
Base-Backbone interact. energy: -0.297
local terms energy: -101.087763
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -22.121
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -26.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -266.639901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.639901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.639901 (E_RNA)
where:
Base-Base interactions energy: -169.829
where: short stacking energy: -81.474
Base-Backbone interact. energy: -0.258
local terms energy: -96.552363
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -21.256
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: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -232.334694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.334694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.334694 (E_RNA)
where:
Base-Base interactions energy: -137.182
where: short stacking energy: -75.818
Base-Backbone interact. energy: -0.526
local terms energy: -94.627512
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -23.945
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -242.262706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.262706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.262706 (E_RNA)
where:
Base-Base interactions energy: -147.525
where: short stacking energy: -84.265
Base-Backbone interact. energy: -0.057
local terms energy: -94.680828
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -22.192
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: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -215.296920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.296920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.296920 (E_RNA)
where:
Base-Base interactions energy: -120.877
where: short stacking energy: -76.676
Base-Backbone interact. energy: 0.074
local terms energy: -94.493858
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -19.299
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: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -186.374172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.374172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.374172 (E_RNA)
where:
Base-Base interactions energy: -116.090
where: short stacking energy: -65.660
Base-Backbone interact. energy: 0.194
local terms energy: -70.478887
where:
bonds (distance) C4'-P energy: -19.889
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -128.551042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.551042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.551042 (E_RNA)
where:
Base-Base interactions energy: -52.884
where: short stacking energy: -50.848
Base-Backbone interact. energy: -0.164
local terms energy: -75.503762
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -9.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -105.990607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.990607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.990607 (E_RNA)
where:
Base-Base interactions energy: -44.737
where: short stacking energy: -36.969
Base-Backbone interact. energy: -0.397
local terms energy: -60.856756
where:
bonds (distance) C4'-P energy: -8.646
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -133.321917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.321917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.321917 (E_RNA)
where:
Base-Base interactions energy: -87.866
where: short stacking energy: -39.903
Base-Backbone interact. energy: 0.710
local terms energy: -46.166385
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -98.339558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.339558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.339558 (E_RNA)
where:
Base-Base interactions energy: -46.396
where: short stacking energy: -34.550
Base-Backbone interact. energy: 0.723
local terms energy: -52.666786
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -5.309
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -237.949714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.949714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.949714 (E_RNA)
where:
Base-Base interactions energy: -138.454
where: short stacking energy: -87.480
Base-Backbone interact. energy: -0.015
local terms energy: -99.480113
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -22.815
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -20.752
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: 49
Temperature: 0.950000
Total energy: -273.574715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.574715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.574715 (E_RNA)
where:
Base-Base interactions energy: -185.047
where: short stacking energy: -86.027
Base-Backbone interact. energy: -0.318
local terms energy: -88.210628
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -226.755937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.755937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.755937 (E_RNA)
where:
Base-Base interactions energy: -141.109
where: short stacking energy: -86.443
Base-Backbone interact. energy: -0.008
local terms energy: -85.639438
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -18.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -216.541100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.541100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.541100 (E_RNA)
where:
Base-Base interactions energy: -121.509
where: short stacking energy: -76.332
Base-Backbone interact. energy: 3.337
local terms energy: -98.368352
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -209.303237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.303237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.303237 (E_RNA)
where:
Base-Base interactions energy: -121.162
where: short stacking energy: -74.611
Base-Backbone interact. energy: -1.800
local terms energy: -86.341972
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -22.457
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: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -181.339499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.339499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.339499 (E_RNA)
where:
Base-Base interactions energy: -103.370
where: short stacking energy: -51.487
Base-Backbone interact. energy: -0.252
local terms energy: -77.717098
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -159.813559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.813559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.813559 (E_RNA)
where:
Base-Base interactions energy: -85.653
where: short stacking energy: -61.934
Base-Backbone interact. energy: 0.254
local terms energy: -74.414693
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -12.685
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: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -121.575825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.575825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.575825 (E_RNA)
where:
Base-Base interactions energy: -50.396
where: short stacking energy: -35.631
Base-Backbone interact. energy: -0.068
local terms energy: -71.111789
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -5.858
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: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -103.536187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.536187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.536187 (E_RNA)
where:
Base-Base interactions energy: -31.420
where: short stacking energy: -26.419
Base-Backbone interact. energy: -0.767
local terms energy: -71.348841
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -3.816
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: 10, replica: 7
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -99.386330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.386330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.386330 (E_RNA)
where:
Base-Base interactions energy: -36.337
where: short stacking energy: -36.337
Base-Backbone interact. energy: -0.186
local terms energy: -62.863749
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -15.975
tors. eta vs tors. theta energy: -1.595
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -276.112141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.112141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.112141 (E_RNA)
where:
Base-Base interactions energy: -183.566
where: short stacking energy: -83.277
Base-Backbone interact. energy: -0.005
local terms energy: -92.540713
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -22.268
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -248.487836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.487836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.487836 (E_RNA)
where:
Base-Base interactions energy: -143.405
where: short stacking energy: -90.609
Base-Backbone interact. energy: -0.012
local terms energy: -105.070695
where:
bonds (distance) C4'-P energy: -19.631
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -27.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -224.844286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.844286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.844286 (E_RNA)
where:
Base-Base interactions energy: -135.978
where: short stacking energy: -80.662
Base-Backbone interact. energy: -0.392
local terms energy: -88.473663
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -20.011
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: 4, replica: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -208.903257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.903257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.903257 (E_RNA)
where:
Base-Base interactions energy: -119.039
where: short stacking energy: -66.439
Base-Backbone interact. energy: -0.183
local terms energy: -89.681613
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -18.169
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: 50
Temperature: 1.100000
Total energy: -193.551099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.551099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.551099 (E_RNA)
where:
Base-Base interactions energy: -114.585
where: short stacking energy: -57.956
Base-Backbone interact. energy: -0.122
local terms energy: -78.844683
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -13.838
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: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -179.698564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.698564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.698564 (E_RNA)
where:
Base-Base interactions energy: -107.952
where: short stacking energy: -57.728
Base-Backbone interact. energy: -0.357
local terms energy: -71.390341
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -8.878
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -14.656
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: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -150.318421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.318421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.318421 (E_RNA)
where:
Base-Base interactions energy: -81.134
where: short stacking energy: -42.410
Base-Backbone interact. energy: -0.331
local terms energy: -68.853603
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -114.493311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.493311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.493311 (E_RNA)
where:
Base-Base interactions energy: -49.312
where: short stacking energy: -47.022
Base-Backbone interact. energy: -0.183
local terms energy: -64.998486
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -103.765243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.765243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.765243 (E_RNA)
where:
Base-Base interactions energy: -45.652
where: short stacking energy: -25.164
Base-Backbone interact. energy: 2.118
local terms energy: -60.230816
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -104.872508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.872508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.872508 (E_RNA)
where:
Base-Base interactions energy: -34.712
where: short stacking energy: -34.712
Base-Backbone interact. energy: -0.126
local terms energy: -70.034113
where:
bonds (distance) C4'-P energy: -21.255
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -12.682
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -270.349397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.349397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.349397 (E_RNA)
where:
Base-Base interactions energy: -173.851
where: short stacking energy: -81.121
Base-Backbone interact. energy: -0.377
local terms energy: -96.121580
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -16.361
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: 4
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -236.348856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.348856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.348856 (E_RNA)
where:
Base-Base interactions energy: -141.854
where: short stacking energy: -68.084
Base-Backbone interact. energy: -0.760
local terms energy: -93.734917
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -241.884445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.884445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.884445 (E_RNA)
where:
Base-Base interactions energy: -151.746
where: short stacking energy: -83.830
Base-Backbone interact. energy: 1.384
local terms energy: -91.523118
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -20.310
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: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -226.717614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.717614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.717614 (E_RNA)
where:
Base-Base interactions energy: -133.281
where: short stacking energy: -81.362
Base-Backbone interact. energy: -0.003
local terms energy: -93.433389
where:
bonds (distance) C4'-P energy: -21.184
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -19.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -198.956053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.956053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.956053 (E_RNA)
where:
Base-Base interactions energy: -121.749
where: short stacking energy: -59.937
Base-Backbone interact. energy: -0.220
local terms energy: -76.987309
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -20.658
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -9.442
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: 6, replica: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -128.772187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.772187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.772187 (E_RNA)
where:
Base-Base interactions energy: -54.155
where: short stacking energy: -49.940
Base-Backbone interact. energy: -0.098
local terms energy: -74.519285
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -5.552
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: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -121.323214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.323214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.323214 (E_RNA)
where:
Base-Base interactions energy: -65.344
where: short stacking energy: -49.465
Base-Backbone interact. energy: 0.075
local terms energy: -56.053817
where:
bonds (distance) C4'-P energy: -9.191
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -116.032756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.032756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.032756 (E_RNA)
where:
Base-Base interactions energy: -46.356
where: short stacking energy: -34.995
Base-Backbone interact. energy: -0.208
local terms energy: -69.468899
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -106.929124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.929124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.929124 (E_RNA)
where:
Base-Base interactions energy: -39.963
where: short stacking energy: -35.267
Base-Backbone interact. energy: -0.188
local terms energy: -66.778259
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -3.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -123.338237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.338237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.338237 (E_RNA)
where:
Base-Base interactions energy: -53.756
where: short stacking energy: -53.756
Base-Backbone interact. energy: -0.240
local terms energy: -69.343170
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -21.448
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: -2.554
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -270.501142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.501142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.501142 (E_RNA)
where:
Base-Base interactions energy: -173.812
where: short stacking energy: -73.729
Base-Backbone interact. energy: -0.276
local terms energy: -96.412763
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -16.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -230.903431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.903431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.903431 (E_RNA)
where:
Base-Base interactions energy: -148.941
where: short stacking energy: -67.072
Base-Backbone interact. energy: -0.601
local terms energy: -81.360712
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -22.117
flat angles P-C4'-P energy: -12.448
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: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -199.731230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.731230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.731230 (E_RNA)
where:
Base-Base interactions energy: -112.275
where: short stacking energy: -65.696
Base-Backbone interact. energy: -0.339
local terms energy: -87.116243
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -11.047
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: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -218.529361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.529361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.529361 (E_RNA)
where:
Base-Base interactions energy: -143.151
where: short stacking energy: -81.045
Base-Backbone interact. energy: -0.832
local terms energy: -74.545774
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -19.987
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -13.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -229.671671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.671671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.671671 (E_RNA)
where:
Base-Base interactions energy: -135.693
where: short stacking energy: -75.978
Base-Backbone interact. energy: -0.079
local terms energy: -93.899643
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -18.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -131.353649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.353649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.353649 (E_RNA)
where:
Base-Base interactions energy: -64.844
where: short stacking energy: -33.693
Base-Backbone interact. energy: -1.467
local terms energy: -65.043188
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -2.352
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: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -112.336552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.336552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.336552 (E_RNA)
where:
Base-Base interactions energy: -46.211
where: short stacking energy: -35.120
Base-Backbone interact. energy: -0.882
local terms energy: -65.243314
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: 3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -109.573918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.573918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.573918 (E_RNA)
where:
Base-Base interactions energy: -37.035
where: short stacking energy: -32.414
Base-Backbone interact. energy: -0.856
local terms energy: -71.683387
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -103.277910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.277910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.277910 (E_RNA)
where:
Base-Base interactions energy: -45.807
where: short stacking energy: -44.076
Base-Backbone interact. energy: 1.241
local terms energy: -58.712216
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -1.001
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: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -91.239107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.239107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.239107 (E_RNA)
where:
Base-Base interactions energy: -45.852
where: short stacking energy: -27.326
Base-Backbone interact. energy: 0.556
local terms energy: -45.943613
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -3.751
tors. eta vs tors. theta energy: 8.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -280.330114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.330114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.330114 (E_RNA)
where:
Base-Base interactions energy: -190.273
where: short stacking energy: -87.287
Base-Backbone interact. energy: -0.069
local terms energy: -89.987659
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -21.034
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: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -208.296608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.296608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.296608 (E_RNA)
where:
Base-Base interactions energy: -122.833
where: short stacking energy: -73.358
Base-Backbone interact. energy: 1.174
local terms energy: -86.637802
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -14.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -218.628214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.628214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.628214 (E_RNA)
where:
Base-Base interactions energy: -133.415
where: short stacking energy: -75.212
Base-Backbone interact. energy: -1.218
local terms energy: -83.995312
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -225.703473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.703473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.703473 (E_RNA)
where:
Base-Base interactions energy: -127.672
where: short stacking energy: -65.849
Base-Backbone interact. energy: -0.305
local terms energy: -97.726474
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -23.003
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -15.008
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: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -208.746575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.746575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.746575 (E_RNA)
where:
Base-Base interactions energy: -129.920
where: short stacking energy: -62.789
Base-Backbone interact. energy: -0.988
local terms energy: -77.838549
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -10.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -158.246861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.246861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.246861 (E_RNA)
where:
Base-Base interactions energy: -89.938
where: short stacking energy: -47.671
Base-Backbone interact. energy: -1.056
local terms energy: -67.252685
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -126.306231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.306231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.306231 (E_RNA)
where:
Base-Base interactions energy: -51.264
where: short stacking energy: -51.077
Base-Backbone interact. energy: 0.613
local terms energy: -75.656165
where:
bonds (distance) C4'-P energy: -18.105
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -5.175
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: 53
Temperature: 1.250000
Total energy: -162.061322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.061322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.061322 (E_RNA)
where:
Base-Base interactions energy: -83.219
where: short stacking energy: -57.914
Base-Backbone interact. energy: -0.815
local terms energy: -78.027587
where:
bonds (distance) C4'-P energy: -21.764
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -105.567891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.567891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.567891 (E_RNA)
where:
Base-Base interactions energy: -42.679
where: short stacking energy: -36.709
Base-Backbone interact. energy: -0.709
local terms energy: -62.180216
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -99.696859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.696859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.696859 (E_RNA)
where:
Base-Base interactions energy: -47.840
where: short stacking energy: -31.059
Base-Backbone interact. energy: -0.409
local terms energy: -51.447589
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: 0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -278.983620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.983620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.983620 (E_RNA)
where:
Base-Base interactions energy: -192.027
where: short stacking energy: -82.351
Base-Backbone interact. energy: -0.646
local terms energy: -86.311187
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -233.153143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.153143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.153143 (E_RNA)
where:
Base-Base interactions energy: -140.123
where: short stacking energy: -91.705
Base-Backbone interact. energy: 1.851
local terms energy: -94.881010
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -19.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -231.892823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.892823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.892823 (E_RNA)
where:
Base-Base interactions energy: -136.931
where: short stacking energy: -86.000
Base-Backbone interact. energy: -0.662
local terms energy: -94.298972
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -23.433
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: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -204.251008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.251008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.251008 (E_RNA)
where:
Base-Base interactions energy: -122.289
where: short stacking energy: -72.987
Base-Backbone interact. energy: -0.110
local terms energy: -81.851853
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -201.484660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.484660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.484660 (E_RNA)
where:
Base-Base interactions energy: -117.695
where: short stacking energy: -63.447
Base-Backbone interact. energy: -0.756
local terms energy: -83.034123
where:
bonds (distance) C4'-P energy: -19.927
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -11.967
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: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -204.200584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.200584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.200584 (E_RNA)
where:
Base-Base interactions energy: -122.860
where: short stacking energy: -73.872
Base-Backbone interact. energy: 0.404
local terms energy: -81.744299
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -19.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -155.999577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.999577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.999577 (E_RNA)
where:
Base-Base interactions energy: -88.535
where: short stacking energy: -47.082
Base-Backbone interact. energy: -0.008
local terms energy: -67.456667
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -127.250212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.250212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.250212 (E_RNA)
where:
Base-Base interactions energy: -58.840
where: short stacking energy: -42.705
Base-Backbone interact. energy: -0.179
local terms energy: -68.230964
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -3.486
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: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -101.432085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.432085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.432085 (E_RNA)
where:
Base-Base interactions energy: -45.261
where: short stacking energy: -35.382
Base-Backbone interact. energy: -0.450
local terms energy: -55.721331
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: 3.522
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: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -92.821989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.821989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.821989 (E_RNA)
where:
Base-Base interactions energy: -27.556
where: short stacking energy: -25.465
Base-Backbone interact. energy: -0.635
local terms energy: -64.631455
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -2.568
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -278.286447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.286447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.286447 (E_RNA)
where:
Base-Base interactions energy: -181.939
where: short stacking energy: -82.195
Base-Backbone interact. energy: -0.249
local terms energy: -96.098409
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -19.631
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: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -226.440334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.440334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.440334 (E_RNA)
where:
Base-Base interactions energy: -131.705
where: short stacking energy: -79.413
Base-Backbone interact. energy: 2.313
local terms energy: -97.048800
where:
bonds (distance) C4'-P energy: -21.537
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -22.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -227.142580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.142580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.142580 (E_RNA)
where:
Base-Base interactions energy: -134.456
where: short stacking energy: -79.817
Base-Backbone interact. energy: -0.247
local terms energy: -92.439454
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -177.276313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.276313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.276313 (E_RNA)
where:
Base-Base interactions energy: -93.990
where: short stacking energy: -62.784
Base-Backbone interact. energy: -1.141
local terms energy: -82.145576
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -185.869760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.869760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.869760 (E_RNA)
where:
Base-Base interactions energy: -101.424
where: short stacking energy: -58.484
Base-Backbone interact. energy: -0.179
local terms energy: -84.267011
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -12.673
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: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -176.258534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.258534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.258534 (E_RNA)
where:
Base-Base interactions energy: -98.104
where: short stacking energy: -52.501
Base-Backbone interact. energy: -0.091
local terms energy: -78.063962
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -174.961194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.961194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.961194 (E_RNA)
where:
Base-Base interactions energy: -99.867
where: short stacking energy: -54.939
Base-Backbone interact. energy: -0.529
local terms energy: -74.565289
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -107.015591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.015591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.015591 (E_RNA)
where:
Base-Base interactions energy: -54.410
where: short stacking energy: -42.688
Base-Backbone interact. energy: -0.241
local terms energy: -52.364351
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -8.067
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: 0.640
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: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -138.830530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.830530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.830530 (E_RNA)
where:
Base-Base interactions energy: -74.672
where: short stacking energy: -36.254
Base-Backbone interact. energy: -0.137
local terms energy: -64.021071
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -0.374
tors. eta vs tors. theta energy: -11.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -115.809068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.809068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.809068 (E_RNA)
where:
Base-Base interactions energy: -49.410
where: short stacking energy: -46.705
Base-Backbone interact. energy: -1.050
local terms energy: -65.348984
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -8.882
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -261.213637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.213637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.213637 (E_RNA)
where:
Base-Base interactions energy: -174.043
where: short stacking energy: -86.617
Base-Backbone interact. energy: -0.194
local terms energy: -86.976421
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -229.369438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.369438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.369438 (E_RNA)
where:
Base-Base interactions energy: -139.868
where: short stacking energy: -76.155
Base-Backbone interact. energy: -0.022
local terms energy: -89.478968
where:
bonds (distance) C4'-P energy: -19.186
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: -16.641
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: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -238.648126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.648126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.648126 (E_RNA)
where:
Base-Base interactions energy: -138.108
where: short stacking energy: -85.628
Base-Backbone interact. energy: -0.147
local terms energy: -100.393308
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -23.828
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: 4, replica: 8
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -193.122244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.122244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.122244 (E_RNA)
where:
Base-Base interactions energy: -99.924
where: short stacking energy: -61.933
Base-Backbone interact. energy: 0.557
local terms energy: -93.755180
where:
bonds (distance) C4'-P energy: -21.765
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -22.050
flat angles P-C4'-P energy: -14.399
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: 5, replica: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -179.883453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.883453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.883453 (E_RNA)
where:
Base-Base interactions energy: -104.512
where: short stacking energy: -61.212
Base-Backbone interact. energy: -0.236
local terms energy: -75.135011
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -195.112492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.112492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.112492 (E_RNA)
where:
Base-Base interactions energy: -117.413
where: short stacking energy: -70.366
Base-Backbone interact. energy: 0.006
local terms energy: -77.705377
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -176.941330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.941330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.941330 (E_RNA)
where:
Base-Base interactions energy: -92.853
where: short stacking energy: -52.613
Base-Backbone interact. energy: -0.166
local terms energy: -83.922034
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -12.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -102.298243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.298243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.298243 (E_RNA)
where:
Base-Base interactions energy: -27.121
where: short stacking energy: -27.121
Base-Backbone interact. energy: -0.596
local terms energy: -74.580955
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -22.438
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -116.234982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.234982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.234982 (E_RNA)
where:
Base-Base interactions energy: -58.899
where: short stacking energy: -43.173
Base-Backbone interact. energy: -1.170
local terms energy: -56.165757
where:
bonds (distance) C4'-P energy: -5.285
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -100.983840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.983840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.983840 (E_RNA)
where:
Base-Base interactions energy: -34.936
where: short stacking energy: -34.879
Base-Backbone interact. energy: -0.218
local terms energy: -65.829952
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -7.435
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -271.868617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.868617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.868617 (E_RNA)
where:
Base-Base interactions energy: -174.502
where: short stacking energy: -82.893
Base-Backbone interact. energy: -0.370
local terms energy: -96.996851
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -23.737
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -22.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -224.134300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.134300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.134300 (E_RNA)
where:
Base-Base interactions energy: -139.132
where: short stacking energy: -65.927
Base-Backbone interact. energy: 0.574
local terms energy: -85.576397
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -16.717
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -231.160412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.160412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.160412 (E_RNA)
where:
Base-Base interactions energy: -130.634
where: short stacking energy: -84.050
Base-Backbone interact. energy: -0.766
local terms energy: -99.760439
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -24.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -178.628288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.628288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.628288 (E_RNA)
where:
Base-Base interactions energy: -89.869
where: short stacking energy: -54.554
Base-Backbone interact. energy: -0.012
local terms energy: -88.747837
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -24.643
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -13.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -193.902166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.902166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.902166 (E_RNA)
where:
Base-Base interactions energy: -112.440
where: short stacking energy: -60.944
Base-Backbone interact. energy: -0.856
local terms energy: -80.606158
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -14.847
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: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -220.059042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.059042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.059042 (E_RNA)
where:
Base-Base interactions energy: -133.172
where: short stacking energy: -69.466
Base-Backbone interact. energy: -0.172
local terms energy: -86.715515
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -18.965
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: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -168.150375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.150375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.150375 (E_RNA)
where:
Base-Base interactions energy: -95.138
where: short stacking energy: -45.177
Base-Backbone interact. energy: -0.455
local terms energy: -72.557807
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -149.391920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.391920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.391920 (E_RNA)
where:
Base-Base interactions energy: -78.346
where: short stacking energy: -50.374
Base-Backbone interact. energy: -0.344
local terms energy: -70.702377
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -100.984214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.984214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.984214 (E_RNA)
where:
Base-Base interactions energy: -39.133
where: short stacking energy: -32.976
Base-Backbone interact. energy: -0.289
local terms energy: -61.562666
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -10.033
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: 10, replica: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -100.890280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.890280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.890280 (E_RNA)
where:
Base-Base interactions energy: -29.835
where: short stacking energy: -29.835
Base-Backbone interact. energy: -0.298
local terms energy: -70.757088
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -16.009
tors. eta vs tors. theta energy: -7.802
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -274.179174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.179174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.179174 (E_RNA)
where:
Base-Base interactions energy: -177.066
where: short stacking energy: -77.207
Base-Backbone interact. energy: -0.075
local terms energy: -97.038358
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -23.846
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -10.629
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: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -222.606410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.606410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.606410 (E_RNA)
where:
Base-Base interactions energy: -128.227
where: short stacking energy: -81.531
Base-Backbone interact. energy: -0.389
local terms energy: -93.990246
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -229.277836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.277836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.277836 (E_RNA)
where:
Base-Base interactions energy: -132.169
where: short stacking energy: -83.490
Base-Backbone interact. energy: -0.332
local terms energy: -96.776534
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -23.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -170.314510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.314510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.314510 (E_RNA)
where:
Base-Base interactions energy: -96.755
where: short stacking energy: -61.295
Base-Backbone interact. energy: -0.016
local terms energy: -73.543457
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -192.669019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.669019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.669019 (E_RNA)
where:
Base-Base interactions energy: -113.069
where: short stacking energy: -64.141
Base-Backbone interact. energy: -0.310
local terms energy: -79.290201
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -23.171
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -9.634
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: 8
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -182.974562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.974562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.974562 (E_RNA)
where:
Base-Base interactions energy: -113.916
where: short stacking energy: -64.240
Base-Backbone interact. energy: 1.140
local terms energy: -70.198246
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -172.642304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.642304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.642304 (E_RNA)
where:
Base-Base interactions energy: -98.452
where: short stacking energy: -63.065
Base-Backbone interact. energy: -0.043
local terms energy: -74.146648
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -16.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -109.854843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.854843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.854843 (E_RNA)
where:
Base-Base interactions energy: -39.039
where: short stacking energy: -39.039
Base-Backbone interact. energy: -0.679
local terms energy: -70.136590
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -109.950206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.950206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.950206 (E_RNA)
where:
Base-Base interactions energy: -44.020
where: short stacking energy: -43.241
Base-Backbone interact. energy: -0.018
local terms energy: -65.911489
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -5.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -99.489719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.489719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.489719 (E_RNA)
where:
Base-Base interactions energy: -37.499
where: short stacking energy: -37.499
Base-Backbone interact. energy: -1.404
local terms energy: -60.586375
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -279.479488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.479488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.479488 (E_RNA)
where:
Base-Base interactions energy: -179.665
where: short stacking energy: -92.129
Base-Backbone interact. energy: -0.285
local terms energy: -99.529144
where:
bonds (distance) C4'-P energy: -20.857
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -21.409
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: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -224.035871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.035871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.035871 (E_RNA)
where:
Base-Base interactions energy: -127.233
where: short stacking energy: -75.770
Base-Backbone interact. energy: -0.150
local terms energy: -96.653055
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -235.517579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.517579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.517579 (E_RNA)
where:
Base-Base interactions energy: -135.161
where: short stacking energy: -86.815
Base-Backbone interact. energy: -0.422
local terms energy: -99.935058
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -24.011
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: 4, replica: 9
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -219.398764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.398764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.398764 (E_RNA)
where:
Base-Base interactions energy: -135.537
where: short stacking energy: -72.388
Base-Backbone interact. energy: -0.126
local terms energy: -83.735886
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -17.546
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: 5, replica: 4
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -190.089927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.089927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.089927 (E_RNA)
where:
Base-Base interactions energy: -111.080
where: short stacking energy: -61.954
Base-Backbone interact. energy: -0.499
local terms energy: -78.510951
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -8.768
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: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -178.662325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.662325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.662325 (E_RNA)
where:
Base-Base interactions energy: -101.668
where: short stacking energy: -57.959
Base-Backbone interact. energy: 1.131
local terms energy: -78.125868
where:
bonds (distance) C4'-P energy: -22.045
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -10.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -159.946860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.946860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.946860 (E_RNA)
where:
Base-Base interactions energy: -89.007
where: short stacking energy: -47.995
Base-Backbone interact. energy: -0.184
local terms energy: -70.756173
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -117.353046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.353046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.353046 (E_RNA)
where:
Base-Base interactions energy: -52.585
where: short stacking energy: -40.910
Base-Backbone interact. energy: -0.613
local terms energy: -64.155080
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -21.262
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: 0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -104.313118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.313118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.313118 (E_RNA)
where:
Base-Base interactions energy: -48.809
where: short stacking energy: -26.529
Base-Backbone interact. energy: -0.967
local terms energy: -54.536971
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: 2.545
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: 59
Temperature: 1.350000
Total energy: -94.731881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.731881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.731881 (E_RNA)
where:
Base-Base interactions energy: -51.784
where: short stacking energy: -30.233
Base-Backbone interact. energy: 0.260
local terms energy: -43.208265
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -3.279
tors. eta vs tors. theta energy: 4.653
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -284.445252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.445252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.445252 (E_RNA)
where:
Base-Base interactions energy: -188.964
where: short stacking energy: -93.422
Base-Backbone interact. energy: -0.821
local terms energy: -94.661096
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -17.267
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: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -228.794867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.794867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.794867 (E_RNA)
where:
Base-Base interactions energy: -140.004
where: short stacking energy: -80.514
Base-Backbone interact. energy: 0.001
local terms energy: -88.791842
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -217.856987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.856987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.856987 (E_RNA)
where:
Base-Base interactions energy: -119.662
where: short stacking energy: -71.904
Base-Backbone interact. energy: -0.080
local terms energy: -98.115024
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -221.395180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.395180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.395180 (E_RNA)
where:
Base-Base interactions energy: -133.188
where: short stacking energy: -67.163
Base-Backbone interact. energy: -0.224
local terms energy: -87.983642
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -13.859
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: 5, replica: 4
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -194.584123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.584123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.584123 (E_RNA)
where:
Base-Base interactions energy: -121.758
where: short stacking energy: -55.719
Base-Backbone interact. energy: -0.685
local terms energy: -72.141309
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -9.856
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: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -192.756292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.756292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.756292 (E_RNA)
where:
Base-Base interactions energy: -105.400
where: short stacking energy: -70.661
Base-Backbone interact. energy: -0.040
local terms energy: -87.315919
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -21.528
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -172.331562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.331562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.331562 (E_RNA)
where:
Base-Base interactions energy: -102.989
where: short stacking energy: -56.119
Base-Backbone interact. energy: -0.238
local terms energy: -69.105186
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -7.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -132.718525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.718525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.718525 (E_RNA)
where:
Base-Base interactions energy: -62.248
where: short stacking energy: -46.401
Base-Backbone interact. energy: -0.003
local terms energy: -70.467931
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -99.887762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.887762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.887762 (E_RNA)
where:
Base-Base interactions energy: -36.485
where: short stacking energy: -36.485
Base-Backbone interact. energy: -0.046
local terms energy: -63.356982
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -99.380551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.380551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.380551 (E_RNA)
where:
Base-Base interactions energy: -40.630
where: short stacking energy: -36.316
Base-Backbone interact. energy: -0.069
local terms energy: -58.682067
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -8.502
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -277.763261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.763261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.763261 (E_RNA)
where:
Base-Base interactions energy: -177.152
where: short stacking energy: -83.896
Base-Backbone interact. energy: -0.523
local terms energy: -100.087725
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -22.624
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: -19.612
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: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -232.344299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.344299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.344299 (E_RNA)
where:
Base-Base interactions energy: -140.723
where: short stacking energy: -85.635
Base-Backbone interact. energy: -0.229
local terms energy: -91.392307
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -24.549
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: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -204.618306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.618306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.618306 (E_RNA)
where:
Base-Base interactions energy: -121.569
where: short stacking energy: -58.744
Base-Backbone interact. energy: -1.184
local terms energy: -81.864749
where:
bonds (distance) C4'-P energy: -22.924
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -187.889584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.889584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.889584 (E_RNA)
where:
Base-Base interactions energy: -112.129
where: short stacking energy: -70.867
Base-Backbone interact. energy: -0.511
local terms energy: -75.249843
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -8.552
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: 5, replica: 9
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -209.382433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.382433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.382433 (E_RNA)
where:
Base-Base interactions energy: -115.254
where: short stacking energy: -69.533
Base-Backbone interact. energy: -0.061
local terms energy: -94.067773
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -187.084669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.084669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.084669 (E_RNA)
where:
Base-Base interactions energy: -105.627
where: short stacking energy: -60.191
Base-Backbone interact. energy: -0.228
local terms energy: -81.229827
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -18.105
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: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -227.993379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.993379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.993379 (E_RNA)
where:
Base-Base interactions energy: -149.605
where: short stacking energy: -64.534
Base-Backbone interact. energy: 0.376
local terms energy: -78.764998
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -12.064
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: 8, replica: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -118.889565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.889565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.889565 (E_RNA)
where:
Base-Base interactions energy: -60.437
where: short stacking energy: -41.974
Base-Backbone interact. energy: -1.161
local terms energy: -57.290932
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -0.207
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: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -116.878521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.878521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.878521 (E_RNA)
where:
Base-Base interactions energy: -46.719
where: short stacking energy: -46.298
Base-Backbone interact. energy: -0.147
local terms energy: -70.012627
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -6.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -98.256565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.256565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.256565 (E_RNA)
where:
Base-Base interactions energy: -30.532
where: short stacking energy: -29.632
Base-Backbone interact. energy: -0.267
local terms energy: -67.457327
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -3.795
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -273.158462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.158462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.158462 (E_RNA)
where:
Base-Base interactions energy: -176.892
where: short stacking energy: -76.644
Base-Backbone interact. energy: -0.313
local terms energy: -95.953556
where:
bonds (distance) C4'-P energy: -20.780
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -18.472
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: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -220.990399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.990399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.990399 (E_RNA)
where:
Base-Base interactions energy: -131.149
where: short stacking energy: -84.994
Base-Backbone interact. energy: -0.123
local terms energy: -89.718734
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -23.056
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -19.695
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: 62
Temperature: 1.000000
Total energy: -244.581713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.581713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.581713 (E_RNA)
where:
Base-Base interactions energy: -154.233
where: short stacking energy: -81.271
Base-Backbone interact. energy: -0.442
local terms energy: -89.906291
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -23.208
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: 4, replica: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -178.045766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.045766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.045766 (E_RNA)
where:
Base-Base interactions energy: -89.816
where: short stacking energy: -62.281
Base-Backbone interact. energy: 3.291
local terms energy: -91.520783
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -13.445
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: 9
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -199.199238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.199238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.199238 (E_RNA)
where:
Base-Base interactions energy: -131.012
where: short stacking energy: -78.499
Base-Backbone interact. energy: -0.198
local terms energy: -67.989685
where:
bonds (distance) C4'-P energy: -9.219
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -12.580
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: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -181.206470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.206470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.206470 (E_RNA)
where:
Base-Base interactions energy: -106.940
where: short stacking energy: -41.686
Base-Backbone interact. energy: -0.941
local terms energy: -73.325342
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -180.715662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.715662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.715662 (E_RNA)
where:
Base-Base interactions energy: -99.083
where: short stacking energy: -54.913
Base-Backbone interact. energy: -0.497
local terms energy: -81.136063
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -104.679971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.679971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.679971 (E_RNA)
where:
Base-Base interactions energy: -39.197
where: short stacking energy: -34.555
Base-Backbone interact. energy: -0.217
local terms energy: -65.266009
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -112.332733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.332733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.332733 (E_RNA)
where:
Base-Base interactions energy: -41.007
where: short stacking energy: -38.604
Base-Backbone interact. energy: -1.384
local terms energy: -69.941232
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -0.206
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: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -112.181607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.181607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.181607 (E_RNA)
where:
Base-Base interactions energy: -42.675
where: short stacking energy: -40.513
Base-Backbone interact. energy: -0.085
local terms energy: -69.421274
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -1.829
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -272.757404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.757404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.757404 (E_RNA)
where:
Base-Base interactions energy: -168.640
where: short stacking energy: -97.144
Base-Backbone interact. energy: -0.062
local terms energy: -104.054804
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -24.855
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -28.612
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: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -252.681445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.681445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.681445 (E_RNA)
where:
Base-Base interactions energy: -162.934
where: short stacking energy: -91.904
Base-Backbone interact. energy: -0.206
local terms energy: -89.542017
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -21.731
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -19.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -223.710209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.710209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.710209 (E_RNA)
where:
Base-Base interactions energy: -130.180
where: short stacking energy: -73.549
Base-Backbone interact. energy: -0.303
local terms energy: -93.227182
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -20.670
flat angles C4'-P-C4' energy: -20.937
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -18.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -215.752274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.752274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.752274 (E_RNA)
where:
Base-Base interactions energy: -133.394
where: short stacking energy: -80.640
Base-Backbone interact. energy: -0.006
local terms energy: -82.351608
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -180.474020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.474020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.474020 (E_RNA)
where:
Base-Base interactions energy: -94.840
where: short stacking energy: -54.543
Base-Backbone interact. energy: -0.561
local terms energy: -85.072428
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -15.130
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: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -189.307587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.307587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.307587 (E_RNA)
where:
Base-Base interactions energy: -102.745
where: short stacking energy: -57.178
Base-Backbone interact. energy: -0.158
local terms energy: -86.404297
where:
bonds (distance) C4'-P energy: -18.320
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -7.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -160.491662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.491662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.491662 (E_RNA)
where:
Base-Base interactions energy: -85.481
where: short stacking energy: -58.540
Base-Backbone interact. energy: -0.868
local terms energy: -74.142007
where:
bonds (distance) C4'-P energy: -20.141
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -10.216
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: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -104.400816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.400816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.400816 (E_RNA)
where:
Base-Base interactions energy: -42.874
where: short stacking energy: -31.558
Base-Backbone interact. energy: -0.234
local terms energy: -61.293107
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -6.804
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: 63
Temperature: 1.300000
Total energy: -126.140636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.140636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.140636 (E_RNA)
where:
Base-Base interactions energy: -67.122
where: short stacking energy: -34.396
Base-Backbone interact. energy: -0.429
local terms energy: -58.589661
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: 1.950
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: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -98.692530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.692530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.692530 (E_RNA)
where:
Base-Base interactions energy: -41.034
where: short stacking energy: -41.034
Base-Backbone interact. energy: 0.178
local terms energy: -57.836559
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: 1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -274.140482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.140482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.140482 (E_RNA)
where:
Base-Base interactions energy: -171.174
where: short stacking energy: -89.637
Base-Backbone interact. energy: -0.063
local terms energy: -102.903040
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -26.552
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: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -271.050526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.050526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.050526 (E_RNA)
where:
Base-Base interactions energy: -170.950
where: short stacking energy: -85.792
Base-Backbone interact. energy: -0.351
local terms energy: -99.749419
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -25.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -226.994735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.994735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.994735 (E_RNA)
where:
Base-Base interactions energy: -137.947
where: short stacking energy: -81.971
Base-Backbone interact. energy: -0.426
local terms energy: -88.621403
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -26.161
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: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -222.102187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.102187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.102187 (E_RNA)
where:
Base-Base interactions energy: -129.487
where: short stacking energy: -85.465
Base-Backbone interact. energy: -0.537
local terms energy: -92.077434
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -184.713005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.713005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.713005 (E_RNA)
where:
Base-Base interactions energy: -111.427
where: short stacking energy: -61.885
Base-Backbone interact. energy: -0.096
local terms energy: -73.189185
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -7.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -168.567689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.567689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.567689 (E_RNA)
where:
Base-Base interactions energy: -96.477
where: short stacking energy: -62.342
Base-Backbone interact. energy: -0.149
local terms energy: -71.941376
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -8.384
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: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -137.356433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.356433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.356433 (E_RNA)
where:
Base-Base interactions energy: -70.346
where: short stacking energy: -55.141
Base-Backbone interact. energy: 0.686
local terms energy: -67.696138
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -7.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -140.075772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.075772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.075772 (E_RNA)
where:
Base-Base interactions energy: -73.614
where: short stacking energy: -45.541
Base-Backbone interact. energy: -0.417
local terms energy: -66.044132
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -8.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -99.686529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.686529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.686529 (E_RNA)
where:
Base-Base interactions energy: -41.240
where: short stacking energy: -37.133
Base-Backbone interact. energy: -0.072
local terms energy: -58.375180
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -3.534
tors. eta vs tors. theta energy: -7.978
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: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -99.808722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.808722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.808722 (E_RNA)
where:
Base-Base interactions energy: -41.564
where: short stacking energy: -41.441
Base-Backbone interact. energy: -0.330
local terms energy: -57.915036
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -2.413
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -267.093532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.093532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.093532 (E_RNA)
where:
Base-Base interactions energy: -159.020
where: short stacking energy: -93.073
Base-Backbone interact. energy: -0.536
local terms energy: -107.538467
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -24.840
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -23.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -257.857210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.857210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.857210 (E_RNA)
where:
Base-Base interactions energy: -157.687
where: short stacking energy: -87.003
Base-Backbone interact. energy: -0.002
local terms energy: -100.168461
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -26.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -227.186746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.186746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.186746 (E_RNA)
where:
Base-Base interactions energy: -133.738
where: short stacking energy: -82.800
Base-Backbone interact. energy: -0.007
local terms energy: -93.441620
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -20.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -215.210939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.210939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.210939 (E_RNA)
where:
Base-Base interactions energy: -130.179
where: short stacking energy: -83.014
Base-Backbone interact. energy: 0.019
local terms energy: -85.051004
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -22.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -189.537193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.537193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.537193 (E_RNA)
where:
Base-Base interactions energy: -108.844
where: short stacking energy: -73.334
Base-Backbone interact. energy: -0.300
local terms energy: -80.393754
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -21.808
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -166.697070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.697070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.697070 (E_RNA)
where:
Base-Base interactions energy: -78.366
where: short stacking energy: -49.022
Base-Backbone interact. energy: -0.195
local terms energy: -88.135382
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -24.076
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -14.761
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: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -137.118289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.118289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.118289 (E_RNA)
where:
Base-Base interactions energy: -76.967
where: short stacking energy: -42.470
Base-Backbone interact. energy: -0.194
local terms energy: -59.957331
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -4.048
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: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -119.597228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.597228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.597228 (E_RNA)
where:
Base-Base interactions energy: -48.196
where: short stacking energy: -46.686
Base-Backbone interact. energy: -0.090
local terms energy: -71.310532
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -11.029
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: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -140.501827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.501827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.501827 (E_RNA)
where:
Base-Base interactions energy: -76.667
where: short stacking energy: -41.277
Base-Backbone interact. energy: -0.221
local terms energy: -63.613731
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -4.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -101.462124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.462124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.462124 (E_RNA)
where:
Base-Base interactions energy: -45.484
where: short stacking energy: -39.990
Base-Backbone interact. energy: 0.413
local terms energy: -56.391304
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -274.036840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.036840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.036840 (E_RNA)
where:
Base-Base interactions energy: -173.903
where: short stacking energy: -87.445
Base-Backbone interact. energy: -0.036
local terms energy: -100.098199
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -23.543
flat angles C4'-P-C4' energy: -21.778
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -24.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -241.898430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.898430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.898430 (E_RNA)
where:
Base-Base interactions energy: -139.822
where: short stacking energy: -86.681
Base-Backbone interact. energy: -1.506
local terms energy: -100.571128
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -23.428
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -26.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -226.013343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.013343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.013343 (E_RNA)
where:
Base-Base interactions energy: -131.592
where: short stacking energy: -82.466
Base-Backbone interact. energy: -0.038
local terms energy: -94.383331
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -23.439
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: 66
Temperature: 1.050000
Total energy: -223.036101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.036101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.036101 (E_RNA)
where:
Base-Base interactions energy: -117.922
where: short stacking energy: -72.786
Base-Backbone interact. energy: -0.282
local terms energy: -104.832092
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -25.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -175.182541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.182541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.182541 (E_RNA)
where:
Base-Base interactions energy: -94.108
where: short stacking energy: -57.807
Base-Backbone interact. energy: 0.289
local terms energy: -81.363618
where:
bonds (distance) C4'-P energy: -18.432
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -11.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -179.590824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.590824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.590824 (E_RNA)
where:
Base-Base interactions energy: -106.938
where: short stacking energy: -56.654
Base-Backbone interact. energy: -0.320
local terms energy: -72.333059
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -119.298043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.298043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.298043 (E_RNA)
where:
Base-Base interactions energy: -41.701
where: short stacking energy: -41.701
Base-Backbone interact. energy: -1.015
local terms energy: -76.582171
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -11.567
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: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -112.378977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.378977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.378977 (E_RNA)
where:
Base-Base interactions energy: -46.075
where: short stacking energy: -45.213
Base-Backbone interact. energy: -0.096
local terms energy: -66.208061
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -7.138
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: 8
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -136.014668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.014668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.014668 (E_RNA)
where:
Base-Base interactions energy: -68.514
where: short stacking energy: -39.161
Base-Backbone interact. energy: -2.117
local terms energy: -65.384375
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -3.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -111.291956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.291956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.291956 (E_RNA)
where:
Base-Base interactions energy: -47.109
where: short stacking energy: -36.902
Base-Backbone interact. energy: -0.132
local terms energy: -64.051409
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -281.668725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.668725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.668725 (E_RNA)
where:
Base-Base interactions energy: -174.436
where: short stacking energy: -92.882
Base-Backbone interact. energy: -0.057
local terms energy: -107.175884
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -30.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -234.115070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.115070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.115070 (E_RNA)
where:
Base-Base interactions energy: -138.837
where: short stacking energy: -90.592
Base-Backbone interact. energy: 0.039
local terms energy: -95.317659
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -25.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -241.540554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.540554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.540554 (E_RNA)
where:
Base-Base interactions energy: -143.356
where: short stacking energy: -97.307
Base-Backbone interact. energy: -1.190
local terms energy: -96.994419
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -28.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -223.496228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.496228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.496228 (E_RNA)
where:
Base-Base interactions energy: -129.191
where: short stacking energy: -81.384
Base-Backbone interact. energy: -0.413
local terms energy: -93.892487
where:
bonds (distance) C4'-P energy: -19.918
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -23.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -175.099175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.099175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.099175 (E_RNA)
where:
Base-Base interactions energy: -102.109
where: short stacking energy: -54.746
Base-Backbone interact. energy: -1.277
local terms energy: -71.713062
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -8.820
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: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -135.403297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.403297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.403297 (E_RNA)
where:
Base-Base interactions energy: -54.582
where: short stacking energy: -47.595
Base-Backbone interact. energy: -0.396
local terms energy: -80.424944
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -24.535
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -6.882
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: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -162.534418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.534418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.534418 (E_RNA)
where:
Base-Base interactions energy: -91.485
where: short stacking energy: -43.933
Base-Backbone interact. energy: -0.689
local terms energy: -70.360552
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -147.761533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.761533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.761533 (E_RNA)
where:
Base-Base interactions energy: -78.197
where: short stacking energy: -44.532
Base-Backbone interact. energy: -0.167
local terms energy: -69.397617
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -22.798
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -104.243184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.243184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.243184 (E_RNA)
where:
Base-Base interactions energy: -43.413
where: short stacking energy: -41.006
Base-Backbone interact. energy: -1.755
local terms energy: -59.076084
where:
bonds (distance) C4'-P energy: -20.320
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -101.082811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.082811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.082811 (E_RNA)
where:
Base-Base interactions energy: -41.541
where: short stacking energy: -20.483
Base-Backbone interact. energy: -0.392
local terms energy: -59.150027
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -283.430106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.430106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.430106 (E_RNA)
where:
Base-Base interactions energy: -182.798
where: short stacking energy: -96.883
Base-Backbone interact. energy: -0.301
local terms energy: -100.331693
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -19.980
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -26.223
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: 1
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -231.477065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.477065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.477065 (E_RNA)
where:
Base-Base interactions energy: -130.475
where: short stacking energy: -87.909
Base-Backbone interact. energy: -0.087
local terms energy: -100.915134
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -22.239
flat angles C4'-P-C4' energy: -23.971
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -17.889
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: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -244.112081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.112081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.112081 (E_RNA)
where:
Base-Base interactions energy: -147.975
where: short stacking energy: -78.876
Base-Backbone interact. energy: -1.247
local terms energy: -94.890590
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -20.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -221.666824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.666824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.666824 (E_RNA)
where:
Base-Base interactions energy: -128.681
where: short stacking energy: -84.195
Base-Backbone interact. energy: 0.283
local terms energy: -93.268661
where:
bonds (distance) C4'-P energy: -19.296
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -23.068
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -21.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -190.425878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.425878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.425878 (E_RNA)
where:
Base-Base interactions energy: -117.716
where: short stacking energy: -52.025
Base-Backbone interact. energy: -0.234
local terms energy: -72.475777
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -23.314
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -5.632
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: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -131.753423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.753423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.753423 (E_RNA)
where:
Base-Base interactions energy: -53.372
where: short stacking energy: -52.280
Base-Backbone interact. energy: -0.520
local terms energy: -77.862288
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -8.198
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: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -160.213541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.213541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.213541 (E_RNA)
where:
Base-Base interactions energy: -86.424
where: short stacking energy: -54.354
Base-Backbone interact. energy: -0.250
local terms energy: -73.540324
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -10.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -154.503131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.503131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.503131 (E_RNA)
where:
Base-Base interactions energy: -82.211
where: short stacking energy: -46.009
Base-Backbone interact. energy: -0.902
local terms energy: -71.390048
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -109.415705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.415705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.415705 (E_RNA)
where:
Base-Base interactions energy: -47.690
where: short stacking energy: -37.350
Base-Backbone interact. energy: -0.381
local terms energy: -61.345445
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: 0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -105.993433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.993433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.993433 (E_RNA)
where:
Base-Base interactions energy: -42.201
where: short stacking energy: -37.034
Base-Backbone interact. energy: -0.137
local terms energy: -63.655378
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -5.009
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -288.053482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.053482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.053482 (E_RNA)
where:
Base-Base interactions energy: -179.775
where: short stacking energy: -96.606
Base-Backbone interact. energy: -0.094
local terms energy: -108.185304
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -29.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -241.052088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.052088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.052088 (E_RNA)
where:
Base-Base interactions energy: -136.731
where: short stacking energy: -87.862
Base-Backbone interact. energy: -0.022
local terms energy: -104.299924
where:
bonds (distance) C4'-P energy: -21.296
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -14.410
tors. eta vs tors. theta energy: -28.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -239.874140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.874140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.874140 (E_RNA)
where:
Base-Base interactions energy: -153.617
where: short stacking energy: -80.635
Base-Backbone interact. energy: -0.079
local terms energy: -86.178124
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -21.553
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -208.878932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.878932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.878932 (E_RNA)
where:
Base-Base interactions energy: -126.842
where: short stacking energy: -60.851
Base-Backbone interact. energy: -1.239
local terms energy: -80.798243
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -22.058
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -204.728677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.728677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.728677 (E_RNA)
where:
Base-Base interactions energy: -117.185
where: short stacking energy: -80.279
Base-Backbone interact. energy: -0.650
local terms energy: -86.893820
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -20.203
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: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -152.192262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.192262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.192262 (E_RNA)
where:
Base-Base interactions energy: -76.897
where: short stacking energy: -50.756
Base-Backbone interact. energy: -0.519
local terms energy: -74.776174
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -9.862
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: 69
Temperature: 1.200000
Total energy: -126.420360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.420360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.420360 (E_RNA)
where:
Base-Base interactions energy: -63.823
where: short stacking energy: -34.366
Base-Backbone interact. energy: 0.617
local terms energy: -63.213660
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -113.752815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.752815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.752815 (E_RNA)
where:
Base-Base interactions energy: -47.096
where: short stacking energy: -40.205
Base-Backbone interact. energy: -0.377
local terms energy: -66.279218
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -6.385
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: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -151.465035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.465035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.465035 (E_RNA)
where:
Base-Base interactions energy: -95.613
where: short stacking energy: -53.971
Base-Backbone interact. energy: 1.652
local terms energy: -57.503857
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -104.746235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.746235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.746235 (E_RNA)
where:
Base-Base interactions energy: -54.743
where: short stacking energy: -43.561
Base-Backbone interact. energy: 1.745
local terms energy: -51.747744
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -7.527
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -5.240
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -242.639874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.639874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.639874 (E_RNA)
where:
Base-Base interactions energy: -139.159
where: short stacking energy: -86.338
Base-Backbone interact. energy: -0.075
local terms energy: -103.406153
where:
bonds (distance) C4'-P energy: -18.432
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -23.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -279.266442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.266442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.266442 (E_RNA)
where:
Base-Base interactions energy: -195.278
where: short stacking energy: -86.653
Base-Backbone interact. energy: -0.507
local terms energy: -83.482060
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -15.048
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: 3, replica: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -249.339633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.339633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.339633 (E_RNA)
where:
Base-Base interactions energy: -169.252
where: short stacking energy: -66.712
Base-Backbone interact. energy: 0.172
local terms energy: -80.259381
where:
bonds (distance) C4'-P energy: -20.549
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -229.909737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.909737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.909737 (E_RNA)
where:
Base-Base interactions energy: -145.508
where: short stacking energy: -72.679
Base-Backbone interact. energy: -0.399
local terms energy: -84.002285
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -16.111
tors. eta vs tors. theta energy: -18.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -200.305838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.305838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.305838 (E_RNA)
where:
Base-Base interactions energy: -110.434
where: short stacking energy: -62.200
Base-Backbone interact. energy: -0.038
local terms energy: -89.834511
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -137.559927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.559927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.559927 (E_RNA)
where:
Base-Base interactions energy: -53.205
where: short stacking energy: -53.205
Base-Backbone interact. energy: -0.124
local terms energy: -84.230865
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -22.938
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -7.247
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: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -121.728501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.728501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.728501 (E_RNA)
where:
Base-Base interactions energy: -52.578
where: short stacking energy: -52.578
Base-Backbone interact. energy: 0.166
local terms energy: -69.316164
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -9.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -134.236177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.236177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.236177 (E_RNA)
where:
Base-Base interactions energy: -59.736
where: short stacking energy: -59.736
Base-Backbone interact. energy: -0.370
local terms energy: -74.130422
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -15.428
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: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -111.670130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.670130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.670130 (E_RNA)
where:
Base-Base interactions energy: -49.263
where: short stacking energy: -41.603
Base-Backbone interact. energy: -1.583
local terms energy: -60.823766
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -9.088
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -5.787
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: 10, replica: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -88.686373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.686373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.686373 (E_RNA)
where:
Base-Base interactions energy: -31.294
where: short stacking energy: -28.916
Base-Backbone interact. energy: -0.211
local terms energy: -57.180847
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -0.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -241.624489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.624489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.624489 (E_RNA)
where:
Base-Base interactions energy: -138.240
where: short stacking energy: -80.160
Base-Backbone interact. energy: -0.045
local terms energy: -103.338943
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -23.139
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -22.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -273.815375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.815375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.815375 (E_RNA)
where:
Base-Base interactions energy: -181.497
where: short stacking energy: -83.037
Base-Backbone interact. energy: -0.296
local terms energy: -92.022062
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -18.895
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: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -245.872111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.872111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.872111 (E_RNA)
where:
Base-Base interactions energy: -154.761
where: short stacking energy: -83.852
Base-Backbone interact. energy: 1.052
local terms energy: -92.163570
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -11.533
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: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -218.038961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.038961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.038961 (E_RNA)
where:
Base-Base interactions energy: -130.339
where: short stacking energy: -65.147
Base-Backbone interact. energy: -0.771
local terms energy: -86.929419
where:
bonds (distance) C4'-P energy: -20.669
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -16.851
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: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -187.788699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.788699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.788699 (E_RNA)
where:
Base-Base interactions energy: -107.800
where: short stacking energy: -58.806
Base-Backbone interact. energy: 0.891
local terms energy: -80.879794
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -14.348
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: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -121.163439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.163439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.163439 (E_RNA)
where:
Base-Base interactions energy: -55.518
where: short stacking energy: -50.167
Base-Backbone interact. energy: -0.371
local terms energy: -65.274281
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -6.468
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: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -123.034096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.034096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.034096 (E_RNA)
where:
Base-Base interactions energy: -52.033
where: short stacking energy: -46.738
Base-Backbone interact. energy: -0.057
local terms energy: -70.943499
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -9.971
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: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -120.510580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.510580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.510580 (E_RNA)
where:
Base-Base interactions energy: -48.387
where: short stacking energy: -45.921
Base-Backbone interact. energy: -0.110
local terms energy: -72.013124
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -111.805152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.805152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.805152 (E_RNA)
where:
Base-Base interactions energy: -52.895
where: short stacking energy: -40.251
Base-Backbone interact. energy: -0.401
local terms energy: -58.509182
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -110.313032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.313032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.313032 (E_RNA)
where:
Base-Base interactions energy: -53.615
where: short stacking energy: -19.726
Base-Backbone interact. energy: 2.022
local terms energy: -58.719783
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: 1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -285.069640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.069640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.069640 (E_RNA)
where:
Base-Base interactions energy: -183.534
where: short stacking energy: -94.282
Base-Backbone interact. energy: -0.067
local terms energy: -101.468797
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -23.201
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -23.486
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: 2, replica: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -248.526766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.526766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.526766 (E_RNA)
where:
Base-Base interactions energy: -145.424
where: short stacking energy: -91.460
Base-Backbone interact. energy: -0.952
local terms energy: -102.151479
where:
bonds (distance) C4'-P energy: -20.846
bonds (distance) P-C4' energy: -21.233
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -24.268
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: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -265.231234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.231234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.231234 (E_RNA)
where:
Base-Base interactions energy: -166.960
where: short stacking energy: -85.541
Base-Backbone interact. energy: -0.179
local terms energy: -98.092320
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -22.420
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: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -225.648859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.648859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.648859 (E_RNA)
where:
Base-Base interactions energy: -134.792
where: short stacking energy: -66.795
Base-Backbone interact. energy: -1.118
local terms energy: -89.738409
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -13.441
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: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -180.582406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.582406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.582406 (E_RNA)
where:
Base-Base interactions energy: -102.385
where: short stacking energy: -68.593
Base-Backbone interact. energy: -0.139
local terms energy: -78.058050
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -13.700
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: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -156.493254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.493254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.493254 (E_RNA)
where:
Base-Base interactions energy: -79.466
where: short stacking energy: -47.623
Base-Backbone interact. energy: -0.316
local terms energy: -76.711664
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -16.199
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: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -126.307896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.307896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.307896 (E_RNA)
where:
Base-Base interactions energy: -52.759
where: short stacking energy: -43.334
Base-Backbone interact. energy: -0.247
local terms energy: -73.301665
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -105.791510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.791510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.791510 (E_RNA)
where:
Base-Base interactions energy: -38.163
where: short stacking energy: -34.592
Base-Backbone interact. energy: -0.190
local terms energy: -67.438559
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: 0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -101.553538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.553538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.553538 (E_RNA)
where:
Base-Base interactions energy: -34.184
where: short stacking energy: -28.875
Base-Backbone interact. energy: -0.294
local terms energy: -67.075339
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -1.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -115.698984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.698984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.698984 (E_RNA)
where:
Base-Base interactions energy: -46.396
where: short stacking energy: -38.803
Base-Backbone interact. energy: 0.640
local terms energy: -69.942658
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -277.085166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.085166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.085166 (E_RNA)
where:
Base-Base interactions energy: -172.757
where: short stacking energy: -87.742
Base-Backbone interact. energy: -0.322
local terms energy: -104.005957
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -23.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -282.571589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.571589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.571589 (E_RNA)
where:
Base-Base interactions energy: -185.154
where: short stacking energy: -91.966
Base-Backbone interact. energy: 0.900
local terms energy: -98.317539
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -24.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -235.817029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.817029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.817029 (E_RNA)
where:
Base-Base interactions energy: -133.309
where: short stacking energy: -70.210
Base-Backbone interact. energy: -0.138
local terms energy: -102.370182
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -18.828
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -229.511117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.511117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.511117 (E_RNA)
where:
Base-Base interactions energy: -149.933
where: short stacking energy: -64.315
Base-Backbone interact. energy: -0.371
local terms energy: -79.207430
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -9.984
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: 5, replica: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -187.967194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.967194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.967194 (E_RNA)
where:
Base-Base interactions energy: -100.570
where: short stacking energy: -62.294
Base-Backbone interact. energy: -0.632
local terms energy: -86.764567
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -13.818
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: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -169.483737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.483737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.483737 (E_RNA)
where:
Base-Base interactions energy: -102.725
where: short stacking energy: -56.912
Base-Backbone interact. energy: 0.839
local terms energy: -67.597615
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -129.124396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.124396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.124396 (E_RNA)
where:
Base-Base interactions energy: -49.140
where: short stacking energy: -34.190
Base-Backbone interact. energy: 0.720
local terms energy: -80.704648
where:
bonds (distance) C4'-P energy: -22.981
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -12.158
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: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -106.814249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.814249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.814249 (E_RNA)
where:
Base-Base interactions energy: -37.234
where: short stacking energy: -36.174
Base-Backbone interact. energy: -0.124
local terms energy: -69.455885
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -110.334663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.334663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.334663 (E_RNA)
where:
Base-Base interactions energy: -46.350
where: short stacking energy: -44.719
Base-Backbone interact. energy: 0.153
local terms energy: -64.137087
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -112.322915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.322915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.322915 (E_RNA)
where:
Base-Base interactions energy: -50.030
where: short stacking energy: -32.622
Base-Backbone interact. energy: -0.663
local terms energy: -61.629795
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -281.860017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.860017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.860017 (E_RNA)
where:
Base-Base interactions energy: -182.835
where: short stacking energy: -89.328
Base-Backbone interact. energy: -1.069
local terms energy: -97.956038
where:
bonds (distance) C4'-P energy: -21.818
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -23.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -282.591666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.591666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.591666 (E_RNA)
where:
Base-Base interactions energy: -190.511
where: short stacking energy: -94.410
Base-Backbone interact. energy: -0.380
local terms energy: -91.701573
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -22.530
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: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -229.079811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.079811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.079811 (E_RNA)
where:
Base-Base interactions energy: -129.320
where: short stacking energy: -90.023
Base-Backbone interact. energy: 0.095
local terms energy: -99.855378
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -24.040
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -25.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -229.942649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.942649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.942649 (E_RNA)
where:
Base-Base interactions energy: -144.627
where: short stacking energy: -69.912
Base-Backbone interact. energy: -0.486
local terms energy: -84.830265
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -21.206
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -180.111862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.111862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.111862 (E_RNA)
where:
Base-Base interactions energy: -96.888
where: short stacking energy: -68.037
Base-Backbone interact. energy: -0.137
local terms energy: -83.086788
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -185.935327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.935327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.935327 (E_RNA)
where:
Base-Base interactions energy: -106.737
where: short stacking energy: -58.383
Base-Backbone interact. energy: -0.142
local terms energy: -79.056763
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -15.356
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: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -115.222017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.222017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.222017 (E_RNA)
where:
Base-Base interactions energy: -37.953
where: short stacking energy: -33.709
Base-Backbone interact. energy: -0.596
local terms energy: -76.673446
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -133.827615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.827615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.827615 (E_RNA)
where:
Base-Base interactions energy: -51.088
where: short stacking energy: -47.614
Base-Backbone interact. energy: -0.087
local terms energy: -82.653408
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -13.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -120.920224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.920224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.920224 (E_RNA)
where:
Base-Base interactions energy: -56.127
where: short stacking energy: -39.789
Base-Backbone interact. energy: 0.034
local terms energy: -64.827263
where:
bonds (distance) C4'-P energy: -20.236
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: 1.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -96.770525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.770525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.770525 (E_RNA)
where:
Base-Base interactions energy: -35.519
where: short stacking energy: -35.230
Base-Backbone interact. energy: -0.137
local terms energy: -61.114817
where:
bonds (distance) C4'-P energy: -7.099
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -1.260
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -287.862995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.862995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.862995 (E_RNA)
where:
Base-Base interactions energy: -182.803
where: short stacking energy: -85.009
Base-Backbone interact. energy: -1.200
local terms energy: -103.860460
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -23.307
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -22.976
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: 2, replica: 5
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -277.352269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.352269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.352269 (E_RNA)
where:
Base-Base interactions energy: -179.983
where: short stacking energy: -95.733
Base-Backbone interact. energy: 2.416
local terms energy: -99.785569
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -21.074
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -26.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -216.137335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.137335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.137335 (E_RNA)
where:
Base-Base interactions energy: -118.722
where: short stacking energy: -73.134
Base-Backbone interact. energy: -0.210
local terms energy: -97.205284
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -21.588
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: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -212.928318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.928318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.928318 (E_RNA)
where:
Base-Base interactions energy: -124.263
where: short stacking energy: -68.136
Base-Backbone interact. energy: 0.945
local terms energy: -89.610294
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -15.918
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: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -179.857750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.857750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.857750 (E_RNA)
where:
Base-Base interactions energy: -102.749
where: short stacking energy: -81.339
Base-Backbone interact. energy: 0.480
local terms energy: -77.588999
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -10.257
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: 6, replica: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -132.565323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.565323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.565323 (E_RNA)
where:
Base-Base interactions energy: -65.830
where: short stacking energy: -60.174
Base-Backbone interact. energy: -0.159
local terms energy: -66.576461
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -11.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -181.609130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.609130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.609130 (E_RNA)
where:
Base-Base interactions energy: -98.959
where: short stacking energy: -56.672
Base-Backbone interact. energy: 0.318
local terms energy: -82.968688
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -15.137
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: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -115.094562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.094562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.094562 (E_RNA)
where:
Base-Base interactions energy: -38.610
where: short stacking energy: -34.820
Base-Backbone interact. energy: -0.315
local terms energy: -76.170202
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -102.781858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.781858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.781858 (E_RNA)
where:
Base-Base interactions energy: -40.687
where: short stacking energy: -33.314
Base-Backbone interact. energy: 1.272
local terms energy: -63.366448
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -99.569960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.569960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.569960 (E_RNA)
where:
Base-Base interactions energy: -31.108
where: short stacking energy: -29.075
Base-Backbone interact. energy: 0.776
local terms energy: -69.238071
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -2.717
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -291.990488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.990488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.990488 (E_RNA)
where:
Base-Base interactions energy: -188.720
where: short stacking energy: -88.473
Base-Backbone interact. energy: 0.276
local terms energy: -103.546053
where:
bonds (distance) C4'-P energy: -22.349
bonds (distance) P-C4' energy: -20.704
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -26.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -273.714870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.714870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.714870 (E_RNA)
where:
Base-Base interactions energy: -169.587
where: short stacking energy: -87.369
Base-Backbone interact. energy: -1.156
local terms energy: -102.972292
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -22.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -222.324314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.324314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.324314 (E_RNA)
where:
Base-Base interactions energy: -124.124
where: short stacking energy: -69.973
Base-Backbone interact. energy: -0.736
local terms energy: -97.464708
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -14.406
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: 4, replica: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -229.830902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.830902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.830902 (E_RNA)
where:
Base-Base interactions energy: -124.736
where: short stacking energy: -86.135
Base-Backbone interact. energy: -0.502
local terms energy: -104.592335
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -26.770
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: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -178.487676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.487676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.487676 (E_RNA)
where:
Base-Base interactions energy: -95.872
where: short stacking energy: -56.008
Base-Backbone interact. energy: -0.242
local terms energy: -82.373064
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -15.393
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: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -129.658322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.658322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.658322 (E_RNA)
where:
Base-Base interactions energy: -59.497
where: short stacking energy: -58.268
Base-Backbone interact. energy: -0.088
local terms energy: -70.072524
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -6.017
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: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -194.218578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.218578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.218578 (E_RNA)
where:
Base-Base interactions energy: -114.925
where: short stacking energy: -47.810
Base-Backbone interact. energy: -0.686
local terms energy: -78.606996
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -24.520
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -9.580
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: 76
Temperature: 1.250000
Total energy: -113.852730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.852730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.852730 (E_RNA)
where:
Base-Base interactions energy: -58.307
where: short stacking energy: -45.065
Base-Backbone interact. energy: -0.500
local terms energy: -55.045524
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: 0.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -108.558846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.558846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.558846 (E_RNA)
where:
Base-Base interactions energy: -38.401
where: short stacking energy: -37.077
Base-Backbone interact. energy: -0.532
local terms energy: -69.625673
where:
bonds (distance) C4'-P energy: -20.324
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -2.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -96.230047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.230047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.230047 (E_RNA)
where:
Base-Base interactions energy: -33.373
where: short stacking energy: -32.123
Base-Backbone interact. energy: 0.491
local terms energy: -63.348140
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -2.094
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -298.498642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.498642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.498642 (E_RNA)
where:
Base-Base interactions energy: -197.430
where: short stacking energy: -89.729
Base-Backbone interact. energy: -0.457
local terms energy: -100.611850
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -24.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -282.078950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.078950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.078950 (E_RNA)
where:
Base-Base interactions energy: -173.442
where: short stacking energy: -92.314
Base-Backbone interact. energy: -0.731
local terms energy: -107.905839
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -21.766
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: -25.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -226.952999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.952999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.952999 (E_RNA)
where:
Base-Base interactions energy: -136.127
where: short stacking energy: -81.432
Base-Backbone interact. energy: -0.166
local terms energy: -90.659785
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -21.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -201.197813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.197813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.197813 (E_RNA)
where:
Base-Base interactions energy: -118.578
where: short stacking energy: -63.481
Base-Backbone interact. energy: 0.310
local terms energy: -82.929855
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -186.504619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.504619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.504619 (E_RNA)
where:
Base-Base interactions energy: -89.375
where: short stacking energy: -60.624
Base-Backbone interact. energy: -0.413
local terms energy: -96.716562
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -24.022
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -212.157895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.157895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.157895 (E_RNA)
where:
Base-Base interactions energy: -124.811
where: short stacking energy: -65.231
Base-Backbone interact. energy: -0.672
local terms energy: -86.674546
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -125.953350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.953350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.953350 (E_RNA)
where:
Base-Base interactions energy: -48.689
where: short stacking energy: -47.560
Base-Backbone interact. energy: -1.207
local terms energy: -76.056968
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -12.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -106.958044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.958044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.958044 (E_RNA)
where:
Base-Base interactions energy: -44.036
where: short stacking energy: -43.000
Base-Backbone interact. energy: -1.073
local terms energy: -61.848693
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -1.363
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -108.235787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.235787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.235787 (E_RNA)
where:
Base-Base interactions energy: -43.377
where: short stacking energy: -26.136
Base-Backbone interact. energy: -0.197
local terms energy: -64.662705
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -105.924358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.924358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.924358 (E_RNA)
where:
Base-Base interactions energy: -43.110
where: short stacking energy: -34.000
Base-Backbone interact. energy: -0.134
local terms energy: -62.680901
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -5.063
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -284.143338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.143338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.143338 (E_RNA)
where:
Base-Base interactions energy: -185.272
where: short stacking energy: -87.964
Base-Backbone interact. energy: -0.893
local terms energy: -97.977530
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -274.929208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.929208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.929208 (E_RNA)
where:
Base-Base interactions energy: -176.077
where: short stacking energy: -93.911
Base-Backbone interact. energy: 0.352
local terms energy: -99.204356
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -20.077
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -24.292
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: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -213.230508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.230508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.230508 (E_RNA)
where:
Base-Base interactions energy: -119.045
where: short stacking energy: -73.382
Base-Backbone interact. energy: -0.052
local terms energy: -94.133655
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -18.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -209.705307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.705307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.705307 (E_RNA)
where:
Base-Base interactions energy: -118.180
where: short stacking energy: -71.467
Base-Backbone interact. energy: -0.900
local terms energy: -90.625912
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -18.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -199.083041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.083041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.083041 (E_RNA)
where:
Base-Base interactions energy: -111.342
where: short stacking energy: -68.058
Base-Backbone interact. energy: -0.056
local terms energy: -87.684303
where:
bonds (distance) C4'-P energy: -20.340
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -14.851
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: 78
Temperature: 1.150000
Total energy: -208.427511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.427511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.427511 (E_RNA)
where:
Base-Base interactions energy: -123.303
where: short stacking energy: -77.456
Base-Backbone interact. energy: 2.038
local terms energy: -87.162584
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -15.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -129.524115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.524115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.524115 (E_RNA)
where:
Base-Base interactions energy: -64.129
where: short stacking energy: -45.340
Base-Backbone interact. energy: -1.469
local terms energy: -63.926456
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -120.892642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.892642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.892642 (E_RNA)
where:
Base-Base interactions energy: -40.481
where: short stacking energy: -38.029
Base-Backbone interact. energy: -0.344
local terms energy: -80.066653
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -20.651
flat angles P-C4'-P energy: -12.554
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: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -109.261106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.261106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.261106 (E_RNA)
where:
Base-Base interactions energy: -50.023
where: short stacking energy: -27.528
Base-Backbone interact. energy: 0.311
local terms energy: -59.549056
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -102.545616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.545616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.545616 (E_RNA)
where:
Base-Base interactions energy: -28.274
where: short stacking energy: -28.274
Base-Backbone interact. energy: -0.062
local terms energy: -74.209804
where:
bonds (distance) C4'-P energy: -19.676
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -4.816
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -291.344522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.344522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.344522 (E_RNA)
where:
Base-Base interactions energy: -186.449
where: short stacking energy: -82.919
Base-Backbone interact. energy: -1.199
local terms energy: -103.695994
where:
bonds (distance) C4'-P energy: -24.956
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -24.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -270.603148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.603148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.603148 (E_RNA)
where:
Base-Base interactions energy: -164.371
where: short stacking energy: -90.551
Base-Backbone interact. energy: -0.786
local terms energy: -105.445353
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -23.572
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -228.394080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.394080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.394080 (E_RNA)
where:
Base-Base interactions energy: -138.134
where: short stacking energy: -86.306
Base-Backbone interact. energy: -0.132
local terms energy: -90.128085
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -219.498442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.498442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.498442 (E_RNA)
where:
Base-Base interactions energy: -126.247
where: short stacking energy: -75.910
Base-Backbone interact. energy: -0.020
local terms energy: -93.231383
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -19.445
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -24.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -230.410187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.410187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.410187 (E_RNA)
where:
Base-Base interactions energy: -147.279
where: short stacking energy: -73.063
Base-Backbone interact. energy: -0.095
local terms energy: -83.035850
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -19.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -185.149872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.149872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.149872 (E_RNA)
where:
Base-Base interactions energy: -106.338
where: short stacking energy: -49.171
Base-Backbone interact. energy: -0.268
local terms energy: -78.543579
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -10.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -125.137216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.137216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.137216 (E_RNA)
where:
Base-Base interactions energy: -56.922
where: short stacking energy: -36.885
Base-Backbone interact. energy: -0.221
local terms energy: -67.993705
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -118.962119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.962119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.962119 (E_RNA)
where:
Base-Base interactions energy: -45.366
where: short stacking energy: -35.848
Base-Backbone interact. energy: -0.165
local terms energy: -73.430813
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -6.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -106.866663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.866663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.866663 (E_RNA)
where:
Base-Base interactions energy: -45.994
where: short stacking energy: -36.176
Base-Backbone interact. energy: -0.137
local terms energy: -60.735421
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -6.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -103.641666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.641666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.641666 (E_RNA)
where:
Base-Base interactions energy: -41.553
where: short stacking energy: -35.684
Base-Backbone interact. energy: 2.887
local terms energy: -64.975587
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -21.871
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: 0.075
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -278.387720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.387720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.387720 (E_RNA)
where:
Base-Base interactions energy: -176.100
where: short stacking energy: -100.352
Base-Backbone interact. energy: -0.309
local terms energy: -101.978187
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -28.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -278.466173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.466173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.466173 (E_RNA)
where:
Base-Base interactions energy: -174.513
where: short stacking energy: -86.490
Base-Backbone interact. energy: -1.335
local terms energy: -102.618265
where:
bonds (distance) C4'-P energy: -20.291
bonds (distance) P-C4' energy: -22.003
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -27.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -228.868922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.868922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.868922 (E_RNA)
where:
Base-Base interactions energy: -136.561
where: short stacking energy: -90.421
Base-Backbone interact. energy: -0.105
local terms energy: -92.203115
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -15.754
tors. eta vs tors. theta energy: -21.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -231.713569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.713569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.713569 (E_RNA)
where:
Base-Base interactions energy: -138.345
where: short stacking energy: -74.212
Base-Backbone interact. energy: -0.557
local terms energy: -92.811701
where:
bonds (distance) C4'-P energy: -23.116
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -13.240
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: 5, replica: 9
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -245.477414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.477414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.477414 (E_RNA)
where:
Base-Base interactions energy: -161.852
where: short stacking energy: -83.829
Base-Backbone interact. energy: -0.718
local terms energy: -82.906858
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -21.814
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -194.598486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.598486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.598486 (E_RNA)
where:
Base-Base interactions energy: -109.974
where: short stacking energy: -48.148
Base-Backbone interact. energy: -0.394
local terms energy: -84.230596
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -12.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -135.654279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.654279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.654279 (E_RNA)
where:
Base-Base interactions energy: -52.625
where: short stacking energy: -35.128
Base-Backbone interact. energy: 0.847
local terms energy: -83.875650
where:
bonds (distance) C4'-P energy: -22.096
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -17.423
tors. eta vs tors. theta energy: -4.093
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: 80
Temperature: 1.250000
Total energy: -137.448028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.448028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.448028 (E_RNA)
where:
Base-Base interactions energy: -74.405
where: short stacking energy: -46.548
Base-Backbone interact. energy: 0.133
local terms energy: -63.175955
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -9.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -110.990445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.990445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.990445 (E_RNA)
where:
Base-Base interactions energy: -42.092
where: short stacking energy: -35.495
Base-Backbone interact. energy: -0.129
local terms energy: -68.769525
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -105.405215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.405215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.405215 (E_RNA)
where:
Base-Base interactions energy: -30.718
where: short stacking energy: -30.578
Base-Backbone interact. energy: -0.793
local terms energy: -73.894034
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -19.957
flat angles P-C4'-P energy: -11.514
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -290.149106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.149106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.149106 (E_RNA)
where:
Base-Base interactions energy: -182.218
where: short stacking energy: -98.759
Base-Backbone interact. energy: -0.989
local terms energy: -106.942011
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -23.160
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -26.860
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: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -270.815088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.815088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.815088 (E_RNA)
where:
Base-Base interactions energy: -172.588
where: short stacking energy: -83.668
Base-Backbone interact. energy: -0.424
local terms energy: -97.802515
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -19.094
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: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -240.121205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.121205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.121205 (E_RNA)
where:
Base-Base interactions energy: -151.020
where: short stacking energy: -100.229
Base-Backbone interact. energy: -0.136
local terms energy: -88.965398
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -25.222
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: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -238.958899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.958899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.958899 (E_RNA)
where:
Base-Base interactions energy: -158.166
where: short stacking energy: -70.070
Base-Backbone interact. energy: -0.190
local terms energy: -80.602686
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -11.298
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: 5, replica: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -220.891554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.891554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.891554 (E_RNA)
where:
Base-Base interactions energy: -128.207
where: short stacking energy: -76.469
Base-Backbone interact. energy: -0.062
local terms energy: -92.622587
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -23.132
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -146.942285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.942285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.942285 (E_RNA)
where:
Base-Base interactions energy: -73.678
where: short stacking energy: -52.770
Base-Backbone interact. energy: -0.087
local terms energy: -73.177723
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -12.399
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: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -160.965950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.965950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.965950 (E_RNA)
where:
Base-Base interactions energy: -85.699
where: short stacking energy: -41.312
Base-Backbone interact. energy: 0.856
local terms energy: -76.123084
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -130.316935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.316935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.316935 (E_RNA)
where:
Base-Base interactions energy: -67.952
where: short stacking energy: -41.246
Base-Backbone interact. energy: 0.043
local terms energy: -62.407951
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -105.178281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.178281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.178281 (E_RNA)
where:
Base-Base interactions energy: -38.135
where: short stacking energy: -32.556
Base-Backbone interact. energy: -0.003
local terms energy: -67.039644
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -23.354
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: 1.173
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: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -94.864511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.864511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.864511 (E_RNA)
where:
Base-Base interactions energy: -35.280
where: short stacking energy: -24.044
Base-Backbone interact. energy: 0.869
local terms energy: -60.453667
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: 0.390
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -274.159881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.159881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.159881 (E_RNA)
where:
Base-Base interactions energy: -176.784
where: short stacking energy: -82.885
Base-Backbone interact. energy: -0.587
local terms energy: -96.789418
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -22.505
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -21.792
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: 5
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -265.362145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.362145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.362145 (E_RNA)
where:
Base-Base interactions energy: -170.157
where: short stacking energy: -87.142
Base-Backbone interact. energy: -0.756
local terms energy: -94.449160
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -15.565
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: 3, replica: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -241.784175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.784175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.784175 (E_RNA)
where:
Base-Base interactions energy: -148.976
where: short stacking energy: -65.243
Base-Backbone interact. energy: -0.770
local terms energy: -92.037543
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -15.174
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: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -228.392329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.392329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.392329 (E_RNA)
where:
Base-Base interactions energy: -137.575
where: short stacking energy: -89.332
Base-Backbone interact. energy: -0.043
local terms energy: -90.774584
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -22.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -212.324764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.324764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.324764 (E_RNA)
where:
Base-Base interactions energy: -124.179
where: short stacking energy: -78.267
Base-Backbone interact. energy: -0.161
local terms energy: -87.985030
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -21.282
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -124.955647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.955647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.955647 (E_RNA)
where:
Base-Base interactions energy: -60.638
where: short stacking energy: -50.416
Base-Backbone interact. energy: -0.314
local terms energy: -64.004301
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -8.828
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: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -138.061311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.061311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.061311 (E_RNA)
where:
Base-Base interactions energy: -66.671
where: short stacking energy: -36.543
Base-Backbone interact. energy: -0.584
local terms energy: -70.805909
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -19.981
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -0.634
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: 3
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -121.282312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.282312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.282312 (E_RNA)
where:
Base-Base interactions energy: -51.234
where: short stacking energy: -30.899
Base-Backbone interact. energy: -0.383
local terms energy: -69.665119
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -108.625718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.625718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.625718 (E_RNA)
where:
Base-Base interactions energy: -50.025
where: short stacking energy: -35.670
Base-Backbone interact. energy: -1.295
local terms energy: -57.305623
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -111.292214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.292214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.292214 (E_RNA)
where:
Base-Base interactions energy: -41.996
where: short stacking energy: -34.344
Base-Backbone interact. energy: -1.336
local terms energy: -67.959560
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -7.126
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -266.034125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.034125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.034125 (E_RNA)
where:
Base-Base interactions energy: -165.442
where: short stacking energy: -87.691
Base-Backbone interact. energy: -0.691
local terms energy: -99.900864
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -20.852
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -19.536
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: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -273.828168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.828168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.828168 (E_RNA)
where:
Base-Base interactions energy: -171.492
where: short stacking energy: -89.588
Base-Backbone interact. energy: -0.099
local terms energy: -102.237011
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -28.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -264.963402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.963402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.963402 (E_RNA)
where:
Base-Base interactions energy: -169.542
where: short stacking energy: -85.907
Base-Backbone interact. energy: -0.399
local terms energy: -95.022826
where:
bonds (distance) C4'-P energy: -20.738
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -24.521
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: 4, replica: 1
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -225.624649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.624649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.624649 (E_RNA)
where:
Base-Base interactions energy: -126.536
where: short stacking energy: -77.249
Base-Backbone interact. energy: -0.034
local terms energy: -99.053963
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -21.870
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -24.325
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: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -214.877549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.877549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.877549 (E_RNA)
where:
Base-Base interactions energy: -125.457
where: short stacking energy: -75.320
Base-Backbone interact. energy: -0.049
local terms energy: -89.371110
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -20.801
flat angles P-C4'-P energy: -17.603
tors. eta vs tors. theta energy: -20.266
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: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -122.722131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.722131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.722131 (E_RNA)
where:
Base-Base interactions energy: -58.549
where: short stacking energy: -49.844
Base-Backbone interact. energy: -0.163
local terms energy: -64.010071
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -138.618147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.618147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.618147 (E_RNA)
where:
Base-Base interactions energy: -66.794
where: short stacking energy: -51.433
Base-Backbone interact. energy: -0.048
local terms energy: -71.776573
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -10.205
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: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -109.697820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.697820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.697820 (E_RNA)
where:
Base-Base interactions energy: -46.788
where: short stacking energy: -39.365
Base-Backbone interact. energy: 0.333
local terms energy: -63.243713
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -112.669668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.669668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.669668 (E_RNA)
where:
Base-Base interactions energy: -47.505
where: short stacking energy: -28.074
Base-Backbone interact. energy: -0.085
local terms energy: -65.079446
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -89.681774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.681774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.681774 (E_RNA)
where:
Base-Base interactions energy: -28.200
where: short stacking energy: -26.443
Base-Backbone interact. energy: -0.874
local terms energy: -60.608609
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -7.247
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -297.483217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.483217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.483217 (E_RNA)
where:
Base-Base interactions energy: -191.377
where: short stacking energy: -92.091
Base-Backbone interact. energy: -1.011
local terms energy: -105.095372
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -27.383
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: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -263.135619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.135619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.135619 (E_RNA)
where:
Base-Base interactions energy: -168.205
where: short stacking energy: -84.325
Base-Backbone interact. energy: -0.034
local terms energy: -94.897069
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -23.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -261.526794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.526794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.526794 (E_RNA)
where:
Base-Base interactions energy: -164.528
where: short stacking energy: -84.051
Base-Backbone interact. energy: -0.912
local terms energy: -96.086079
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -24.371
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -18.973
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: 4, replica: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -218.373551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.373551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.373551 (E_RNA)
where:
Base-Base interactions energy: -134.939
where: short stacking energy: -82.397
Base-Backbone interact. energy: -0.524
local terms energy: -82.910245
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -15.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -216.218051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.218051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.218051 (E_RNA)
where:
Base-Base interactions energy: -125.791
where: short stacking energy: -77.504
Base-Backbone interact. energy: -0.443
local terms energy: -89.984500
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -127.507515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.507515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.507515 (E_RNA)
where:
Base-Base interactions energy: -57.760
where: short stacking energy: -37.088
Base-Backbone interact. energy: -0.232
local terms energy: -69.514650
where:
bonds (distance) C4'-P energy: -20.887
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -124.822290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.822290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.822290 (E_RNA)
where:
Base-Base interactions energy: -71.142
where: short stacking energy: -58.526
Base-Backbone interact. energy: 5.582
local terms energy: -59.263027
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -2.202
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -106.425520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.425520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.425520 (E_RNA)
where:
Base-Base interactions energy: -38.691
where: short stacking energy: -38.891
Base-Backbone interact. energy: -0.192
local terms energy: -67.542635
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -5.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -110.178135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.178135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.178135 (E_RNA)
where:
Base-Base interactions energy: -48.222
where: short stacking energy: -34.948
Base-Backbone interact. energy: -0.192
local terms energy: -61.764786
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -3.958
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: 84
Temperature: 1.350000
Total energy: -95.167412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.167412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.167412 (E_RNA)
where:
Base-Base interactions energy: -44.910
where: short stacking energy: -24.366
Base-Backbone interact. energy: -0.245
local terms energy: -50.013038
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: 6.916
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -292.566944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.566944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.566944 (E_RNA)
where:
Base-Base interactions energy: -191.506
where: short stacking energy: -94.087
Base-Backbone interact. energy: 0.100
local terms energy: -101.160426
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -22.698
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -24.615
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: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -262.758345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.758345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.758345 (E_RNA)
where:
Base-Base interactions energy: -165.010
where: short stacking energy: -93.169
Base-Backbone interact. energy: -0.438
local terms energy: -97.310852
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -21.770
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -26.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -268.089543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.089543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.089543 (E_RNA)
where:
Base-Base interactions energy: -167.551
where: short stacking energy: -91.974
Base-Backbone interact. energy: -0.276
local terms energy: -100.263093
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: -24.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -207.917282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.917282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.917282 (E_RNA)
where:
Base-Base interactions energy: -115.860
where: short stacking energy: -70.673
Base-Backbone interact. energy: -0.067
local terms energy: -91.989767
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -24.031
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: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -212.138570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.138570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.138570 (E_RNA)
where:
Base-Base interactions energy: -129.797
where: short stacking energy: -79.633
Base-Backbone interact. energy: -0.040
local terms energy: -82.301813
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -12.824
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: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -141.941793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.941793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.941793 (E_RNA)
where:
Base-Base interactions energy: -63.177
where: short stacking energy: -55.796
Base-Backbone interact. energy: -0.004
local terms energy: -78.761222
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -9.859
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: 85
Temperature: 1.200000
Total energy: -170.500081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.500081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.500081 (E_RNA)
where:
Base-Base interactions energy: -92.182
where: short stacking energy: -50.223
Base-Backbone interact. energy: -0.105
local terms energy: -78.213354
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -15.117
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: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -143.384364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.384364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.384364 (E_RNA)
where:
Base-Base interactions energy: -75.300
where: short stacking energy: -42.574
Base-Backbone interact. energy: -0.284
local terms energy: -67.801062
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -115.469996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.469996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.469996 (E_RNA)
where:
Base-Base interactions energy: -53.792
where: short stacking energy: -42.237
Base-Backbone interact. energy: -0.462
local terms energy: -61.215730
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -104.649648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.649648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.649648 (E_RNA)
where:
Base-Base interactions energy: -53.438
where: short stacking energy: -27.444
Base-Backbone interact. energy: -0.515
local terms energy: -50.696770
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: 4.316
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -270.572877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.572877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.572877 (E_RNA)
where:
Base-Base interactions energy: -170.496
where: short stacking energy: -91.773
Base-Backbone interact. energy: -0.222
local terms energy: -99.854594
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -23.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -292.170961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.170961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.170961 (E_RNA)
where:
Base-Base interactions energy: -197.538
where: short stacking energy: -97.274
Base-Backbone interact. energy: -0.079
local terms energy: -94.553246
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -18.824
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -24.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -257.169981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.169981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.169981 (E_RNA)
where:
Base-Base interactions energy: -159.506
where: short stacking energy: -84.471
Base-Backbone interact. energy: 0.540
local terms energy: -98.204076
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -21.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -226.112478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.112478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.112478 (E_RNA)
where:
Base-Base interactions energy: -136.518
where: short stacking energy: -88.001
Base-Backbone interact. energy: -0.061
local terms energy: -89.533534
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -17.630
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -21.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -215.175910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.175910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.175910 (E_RNA)
where:
Base-Base interactions energy: -127.435
where: short stacking energy: -76.302
Base-Backbone interact. energy: -0.158
local terms energy: -87.583161
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -17.335
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: 6, replica: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -144.620268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.620268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.620268 (E_RNA)
where:
Base-Base interactions energy: -63.609
where: short stacking energy: -47.440
Base-Backbone interact. energy: 0.005
local terms energy: -81.015934
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -8.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -159.756341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.756341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.756341 (E_RNA)
where:
Base-Base interactions energy: -81.819
where: short stacking energy: -45.048
Base-Backbone interact. energy: -1.073
local terms energy: -76.863571
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -118.304571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.304571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.304571 (E_RNA)
where:
Base-Base interactions energy: -44.959
where: short stacking energy: -44.768
Base-Backbone interact. energy: 2.539
local terms energy: -75.884997
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -96.277285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.277285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.277285 (E_RNA)
where:
Base-Base interactions energy: -37.453
where: short stacking energy: -35.842
Base-Backbone interact. energy: -0.208
local terms energy: -58.615875
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: 0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -97.167344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.167344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.167344 (E_RNA)
where:
Base-Base interactions energy: -39.903
where: short stacking energy: -39.903
Base-Backbone interact. energy: 0.193
local terms energy: -57.457059
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: 3.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -267.032502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.032502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.032502 (E_RNA)
where:
Base-Base interactions energy: -169.281
where: short stacking energy: -91.088
Base-Backbone interact. energy: -0.247
local terms energy: -97.504758
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -20.325
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -23.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -289.248712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.248712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.248712 (E_RNA)
where:
Base-Base interactions energy: -182.943
where: short stacking energy: -87.590
Base-Backbone interact. energy: 0.237
local terms energy: -106.542747
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -18.466
tors. eta vs tors. theta energy: -26.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -265.908847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.908847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.908847 (E_RNA)
where:
Base-Base interactions energy: -165.829
where: short stacking energy: -85.331
Base-Backbone interact. energy: 0.617
local terms energy: -100.697107
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -21.745
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -23.300
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: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -220.426812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.426812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.426812 (E_RNA)
where:
Base-Base interactions energy: -117.242
where: short stacking energy: -65.080
Base-Backbone interact. energy: -0.097
local terms energy: -103.087859
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -22.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -188.306896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.306896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.306896 (E_RNA)
where:
Base-Base interactions energy: -108.673
where: short stacking energy: -68.131
Base-Backbone interact. energy: -0.140
local terms energy: -79.494449
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -15.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -134.401682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.401682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.401682 (E_RNA)
where:
Base-Base interactions energy: -55.566
where: short stacking energy: -55.566
Base-Backbone interact. energy: -0.245
local terms energy: -78.590156
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -21.564
flat angles P-C4'-P energy: -12.698
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: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -164.109419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.109419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.109419 (E_RNA)
where:
Base-Base interactions energy: -88.071
where: short stacking energy: -40.116
Base-Backbone interact. energy: -0.240
local terms energy: -75.798599
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -12.183
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: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -116.048789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.048789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.048789 (E_RNA)
where:
Base-Base interactions energy: -53.858
where: short stacking energy: -31.415
Base-Backbone interact. energy: -0.541
local terms energy: -61.650199
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: 4.270
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: 87
Temperature: 1.300000
Total energy: -110.338118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.338118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.338118 (E_RNA)
where:
Base-Base interactions energy: -38.201
where: short stacking energy: -39.501
Base-Backbone interact. energy: -0.698
local terms energy: -71.438764
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -11.557
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: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -92.650309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.650309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.650309 (E_RNA)
where:
Base-Base interactions energy: -21.786
where: short stacking energy: -21.786
Base-Backbone interact. energy: -0.096
local terms energy: -70.767968
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -11.069
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -294.088986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.088986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.088986 (E_RNA)
where:
Base-Base interactions energy: -198.764
where: short stacking energy: -99.857
Base-Backbone interact. energy: -0.319
local terms energy: -95.006208
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -27.830
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: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -273.135351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.135351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.135351 (E_RNA)
where:
Base-Base interactions energy: -184.247
where: short stacking energy: -83.948
Base-Backbone interact. energy: -0.256
local terms energy: -88.632070
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -24.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -268.690857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.690857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.690857 (E_RNA)
where:
Base-Base interactions energy: -176.199
where: short stacking energy: -88.005
Base-Backbone interact. energy: -0.015
local terms energy: -92.476653
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -212.738468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.738468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.738468 (E_RNA)
where:
Base-Base interactions energy: -124.789
where: short stacking energy: -76.147
Base-Backbone interact. energy: -0.302
local terms energy: -87.648038
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -21.111
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -12.052
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: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -199.976725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.976725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.976725 (E_RNA)
where:
Base-Base interactions energy: -124.841
where: short stacking energy: -75.805
Base-Backbone interact. energy: -0.647
local terms energy: -74.488671
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -134.584390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.584390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.584390 (E_RNA)
where:
Base-Base interactions energy: -52.309
where: short stacking energy: -46.966
Base-Backbone interact. energy: -0.265
local terms energy: -82.010390
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -21.767
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -164.537083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.537083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.537083 (E_RNA)
where:
Base-Base interactions energy: -92.238
where: short stacking energy: -51.236
Base-Backbone interact. energy: -0.308
local terms energy: -71.991284
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -121.324330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.324330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.324330 (E_RNA)
where:
Base-Base interactions energy: -47.443
where: short stacking energy: -45.271
Base-Backbone interact. energy: -0.006
local terms energy: -73.875196
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -8.127
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: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -100.840184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.840184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.840184 (E_RNA)
where:
Base-Base interactions energy: -50.811
where: short stacking energy: -33.555
Base-Backbone interact. energy: 0.362
local terms energy: -50.391606
where:
bonds (distance) C4'-P energy: -7.970
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: 0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -95.090973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.090973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.090973 (E_RNA)
where:
Base-Base interactions energy: -33.635
where: short stacking energy: -32.152
Base-Backbone interact. energy: -0.018
local terms energy: -61.437761
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: 1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -299.138978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.138978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.138978 (E_RNA)
where:
Base-Base interactions energy: -196.376
where: short stacking energy: -98.789
Base-Backbone interact. energy: 3.010
local terms energy: -105.773350
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -28.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -264.206028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.206028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.206028 (E_RNA)
where:
Base-Base interactions energy: -164.611
where: short stacking energy: -83.951
Base-Backbone interact. energy: -1.042
local terms energy: -98.553566
where:
bonds (distance) C4'-P energy: -22.360
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -23.649
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -24.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -260.498150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.498150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.498150 (E_RNA)
where:
Base-Base interactions energy: -170.470
where: short stacking energy: -80.903
Base-Backbone interact. energy: -0.141
local terms energy: -89.886680
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -21.463
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -217.942349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.942349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.942349 (E_RNA)
where:
Base-Base interactions energy: -129.072
where: short stacking energy: -75.892
Base-Backbone interact. energy: -0.020
local terms energy: -88.849752
where:
bonds (distance) C4'-P energy: -21.965
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -19.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -206.102681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.102681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.102681 (E_RNA)
where:
Base-Base interactions energy: -126.037
where: short stacking energy: -83.225
Base-Backbone interact. energy: -0.734
local terms energy: -79.331803
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -19.749
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: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -160.333630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.333630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.333630 (E_RNA)
where:
Base-Base interactions energy: -77.201
where: short stacking energy: -46.698
Base-Backbone interact. energy: -0.536
local terms energy: -82.597043
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -132.339373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.339373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.339373 (E_RNA)
where:
Base-Base interactions energy: -58.258
where: short stacking energy: -43.466
Base-Backbone interact. energy: -0.086
local terms energy: -73.995009
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -123.059385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.059385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.059385 (E_RNA)
where:
Base-Base interactions energy: -49.725
where: short stacking energy: -36.260
Base-Backbone interact. energy: 0.603
local terms energy: -73.937607
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -23.100
flat angles P-C4'-P energy: -0.497
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: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -102.104688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.104688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.104688 (E_RNA)
where:
Base-Base interactions energy: -38.159
where: short stacking energy: -36.421
Base-Backbone interact. energy: -0.348
local terms energy: -63.597762
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -129.328092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.328092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.328092 (E_RNA)
where:
Base-Base interactions energy: -74.634
where: short stacking energy: -35.561
Base-Backbone interact. energy: -0.314
local terms energy: -54.379560
where:
bonds (distance) C4'-P energy: -6.690
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -2.769
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -268.983994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.983994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.983994 (E_RNA)
where:
Base-Base interactions energy: -175.835
where: short stacking energy: -96.971
Base-Backbone interact. energy: 2.430
local terms energy: -95.579683
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -23.456
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: 9
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -298.039151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.039151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.039151 (E_RNA)
where:
Base-Base interactions energy: -198.507
where: short stacking energy: -98.045
Base-Backbone interact. energy: -1.319
local terms energy: -98.213201
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -29.404
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: 3, replica: 5
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -265.525551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.525551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.525551 (E_RNA)
where:
Base-Base interactions energy: -161.739
where: short stacking energy: -77.652
Base-Backbone interact. energy: -0.631
local terms energy: -103.154798
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -23.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -209.484887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.484887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.484887 (E_RNA)
where:
Base-Base interactions energy: -121.666
where: short stacking energy: -69.552
Base-Backbone interact. energy: -0.861
local terms energy: -86.957825
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -16.035
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: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -222.878225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.878225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.878225 (E_RNA)
where:
Base-Base interactions energy: -133.246
where: short stacking energy: -90.557
Base-Backbone interact. energy: 1.474
local terms energy: -91.106029
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -23.599
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: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -152.012793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.012793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.012793 (E_RNA)
where:
Base-Base interactions energy: -71.581
where: short stacking energy: -59.133
Base-Backbone interact. energy: -0.142
local terms energy: -80.289198
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -12.363
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: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -119.115932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.115932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.115932 (E_RNA)
where:
Base-Base interactions energy: -44.489
where: short stacking energy: -38.576
Base-Backbone interact. energy: -0.110
local terms energy: -74.516850
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -7.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -137.752039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.752039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.752039 (E_RNA)
where:
Base-Base interactions energy: -62.260
where: short stacking energy: -58.382
Base-Backbone interact. energy: 0.794
local terms energy: -76.286149
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -105.722627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.722627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.722627 (E_RNA)
where:
Base-Base interactions energy: -40.023
where: short stacking energy: -34.655
Base-Backbone interact. energy: 0.048
local terms energy: -65.748467
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -1.838
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: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -102.414743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.414743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.414743 (E_RNA)
where:
Base-Base interactions energy: -39.224
where: short stacking energy: -28.539
Base-Backbone interact. energy: -0.785
local terms energy: -62.405395
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -0.819
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -288.829568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.829568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.829568 (E_RNA)
where:
Base-Base interactions energy: -193.531
where: short stacking energy: -96.691
Base-Backbone interact. energy: 3.042
local terms energy: -98.340014
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -21.549
flat angles P-C4'-P energy: -19.476
tors. eta vs tors. theta energy: -19.989
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: 9
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -305.900128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.900128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.900128 (E_RNA)
where:
Base-Base interactions energy: -199.568
where: short stacking energy: -97.238
Base-Backbone interact. energy: -0.131
local terms energy: -106.201598
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -28.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -262.502395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.502395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.502395 (E_RNA)
where:
Base-Base interactions energy: -164.386
where: short stacking energy: -88.365
Base-Backbone interact. energy: -0.088
local terms energy: -98.028301
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -25.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -210.493456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.493456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.493456 (E_RNA)
where:
Base-Base interactions energy: -120.036
where: short stacking energy: -73.405
Base-Backbone interact. energy: -0.155
local terms energy: -90.302835
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -18.299
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: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -193.617541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.617541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.617541 (E_RNA)
where:
Base-Base interactions energy: -115.642
where: short stacking energy: -70.336
Base-Backbone interact. energy: -0.440
local terms energy: -77.534784
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -14.535
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: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -143.880872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.880872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.880872 (E_RNA)
where:
Base-Base interactions energy: -62.245
where: short stacking energy: -62.245
Base-Backbone interact. energy: -0.142
local terms energy: -81.493777
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -19.047
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -124.290185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.290185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.290185 (E_RNA)
where:
Base-Base interactions energy: -55.788
where: short stacking energy: -53.759
Base-Backbone interact. energy: -0.106
local terms energy: -68.396605
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -5.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -123.470348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.470348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.470348 (E_RNA)
where:
Base-Base interactions energy: -65.421
where: short stacking energy: -39.073
Base-Backbone interact. energy: -0.177
local terms energy: -57.872405
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -2.804
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -124.301887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.301887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.301887 (E_RNA)
where:
Base-Base interactions energy: -53.578
where: short stacking energy: -36.505
Base-Backbone interact. energy: -0.266
local terms energy: -70.457685
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -22.468
flat angles P-C4'-P energy: -10.805
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: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -99.110426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.110426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.110426 (E_RNA)
where:
Base-Base interactions energy: -39.377
where: short stacking energy: -26.639
Base-Backbone interact. energy: -0.307
local terms energy: -59.426308
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: 2.124
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -308.865333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.865333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.865333 (E_RNA)
where:
Base-Base interactions energy: -201.597
where: short stacking energy: -99.654
Base-Backbone interact. energy: -0.100
local terms energy: -107.168596
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -27.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -282.481121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.481121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.481121 (E_RNA)
where:
Base-Base interactions energy: -187.782
where: short stacking energy: -90.636
Base-Backbone interact. energy: -0.591
local terms energy: -94.108144
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -19.326
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: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -264.025361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.025361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.025361 (E_RNA)
where:
Base-Base interactions energy: -170.694
where: short stacking energy: -93.043
Base-Backbone interact. energy: -0.088
local terms energy: -93.242783
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -25.676
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: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -216.157221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.157221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.157221 (E_RNA)
where:
Base-Base interactions energy: -123.171
where: short stacking energy: -72.769
Base-Backbone interact. energy: -0.293
local terms energy: -92.692780
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -21.574
flat angles P-C4'-P energy: -15.049
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: 5, replica: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -189.994932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.994932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.994932 (E_RNA)
where:
Base-Base interactions energy: -95.191
where: short stacking energy: -50.291
Base-Backbone interact. energy: -0.384
local terms energy: -94.420018
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -12.846
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: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -140.929735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.929735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.929735 (E_RNA)
where:
Base-Base interactions energy: -64.837
where: short stacking energy: -47.458
Base-Backbone interact. energy: -0.331
local terms energy: -75.761671
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -4.174
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: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -126.686181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.686181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.686181 (E_RNA)
where:
Base-Base interactions energy: -60.908
where: short stacking energy: -32.316
Base-Backbone interact. energy: -0.208
local terms energy: -65.569756
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -7.539
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -8.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -124.942798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.942798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.942798 (E_RNA)
where:
Base-Base interactions energy: -60.980
where: short stacking energy: -53.066
Base-Backbone interact. energy: -0.326
local terms energy: -63.636836
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: 0.764
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: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -111.608869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.608869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.608869 (E_RNA)
where:
Base-Base interactions energy: -46.854
where: short stacking energy: -43.753
Base-Backbone interact. energy: -0.280
local terms energy: -64.474897
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -18.999
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -112.376750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.376750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.376750 (E_RNA)
where:
Base-Base interactions energy: -50.209
where: short stacking energy: -41.188
Base-Backbone interact. energy: 0.340
local terms energy: -62.507532
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: -4.706
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -301.804674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.804674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.804674 (E_RNA)
where:
Base-Base interactions energy: -191.909
where: short stacking energy: -93.874
Base-Backbone interact. energy: -0.067
local terms energy: -109.828008
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -19.136
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -27.921
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: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -278.348230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.348230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.348230 (E_RNA)
where:
Base-Base interactions energy: -171.701
where: short stacking energy: -92.790
Base-Backbone interact. energy: -0.596
local terms energy: -106.051249
where:
bonds (distance) C4'-P energy: -19.124
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -21.327
flat angles P-C4'-P energy: -18.819
tors. eta vs tors. theta energy: -25.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -273.806937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.806937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.806937 (E_RNA)
where:
Base-Base interactions energy: -185.378
where: short stacking energy: -77.983
Base-Backbone interact. energy: -0.976
local terms energy: -87.452990
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -20.726
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -19.794
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: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -201.602720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.602720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.602720 (E_RNA)
where:
Base-Base interactions energy: -125.609
where: short stacking energy: -69.857
Base-Backbone interact. energy: -0.199
local terms energy: -75.794917
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -11.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -214.248058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.248058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.248058 (E_RNA)
where:
Base-Base interactions energy: -125.718
where: short stacking energy: -78.356
Base-Backbone interact. energy: -0.242
local terms energy: -88.287696
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -16.623
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: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -138.682469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.682469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.682469 (E_RNA)
where:
Base-Base interactions energy: -65.636
where: short stacking energy: -41.490
Base-Backbone interact. energy: -0.133
local terms energy: -72.913411
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -15.423
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: 93
Temperature: 1.200000
Total energy: -138.587746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.587746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.587746 (E_RNA)
where:
Base-Base interactions energy: -70.174
where: short stacking energy: -42.986
Base-Backbone interact. energy: 1.678
local terms energy: -70.091869
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -18.037
tors. eta vs tors. theta energy: -2.644
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: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -114.931485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.931485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.931485 (E_RNA)
where:
Base-Base interactions energy: -45.520
where: short stacking energy: -41.524
Base-Backbone interact. energy: 0.638
local terms energy: -70.049305
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -112.038498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.038498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.038498 (E_RNA)
where:
Base-Base interactions energy: -37.822
where: short stacking energy: -37.822
Base-Backbone interact. energy: 0.566
local terms energy: -74.782900
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -100.967059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.967059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.967059 (E_RNA)
where:
Base-Base interactions energy: -38.260
where: short stacking energy: -32.702
Base-Backbone interact. energy: 0.653
local terms energy: -63.359926
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -3.410
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -306.449784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.449784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.449784 (E_RNA)
where:
Base-Base interactions energy: -198.959
where: short stacking energy: -86.805
Base-Backbone interact. energy: -0.519
local terms energy: -106.971832
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -29.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -285.376908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.376908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.376908 (E_RNA)
where:
Base-Base interactions energy: -180.837
where: short stacking energy: -98.273
Base-Backbone interact. energy: -0.537
local terms energy: -104.002551
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -25.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -251.335109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.335109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.335109 (E_RNA)
where:
Base-Base interactions energy: -153.961
where: short stacking energy: -81.621
Base-Backbone interact. energy: -0.508
local terms energy: -96.866316
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -24.674
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: 4, replica: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -221.839906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.839906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.839906 (E_RNA)
where:
Base-Base interactions energy: -138.568
where: short stacking energy: -70.611
Base-Backbone interact. energy: -0.293
local terms energy: -82.979226
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -199.187305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.187305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.187305 (E_RNA)
where:
Base-Base interactions energy: -124.502
where: short stacking energy: -58.670
Base-Backbone interact. energy: -0.932
local terms energy: -73.752735
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -8.934
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: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -129.879037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.879037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.879037 (E_RNA)
where:
Base-Base interactions energy: -57.375
where: short stacking energy: -49.973
Base-Backbone interact. energy: -1.375
local terms energy: -71.129222
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -8.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -134.657007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.657007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.657007 (E_RNA)
where:
Base-Base interactions energy: -64.479
where: short stacking energy: -34.475
Base-Backbone interact. energy: 0.969
local terms energy: -71.146995
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -12.807
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: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -156.466561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.466561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.466561 (E_RNA)
where:
Base-Base interactions energy: -83.396
where: short stacking energy: -44.250
Base-Backbone interact. energy: 0.218
local terms energy: -73.288484
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -13.750
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: 9, replica: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -101.488197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.488197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.488197 (E_RNA)
where:
Base-Base interactions energy: -38.004
where: short stacking energy: -38.004
Base-Backbone interact. energy: -0.073
local terms energy: -63.410621
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -2.704
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: 10, replica: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -97.477870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.477870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.477870 (E_RNA)
where:
Base-Base interactions energy: -34.138
where: short stacking energy: -31.779
Base-Backbone interact. energy: -0.256
local terms energy: -63.083342
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -3.269
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -313.420671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.420671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.420671 (E_RNA)
where:
Base-Base interactions energy: -209.189
where: short stacking energy: -99.443
Base-Backbone interact. energy: -0.747
local terms energy: -103.484317
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -27.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -276.130490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.130490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.130490 (E_RNA)
where:
Base-Base interactions energy: -177.522
where: short stacking energy: -87.204
Base-Backbone interact. energy: -0.013
local terms energy: -98.595773
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -23.486
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: 4
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -242.467397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.467397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.467397 (E_RNA)
where:
Base-Base interactions energy: -153.066
where: short stacking energy: -79.248
Base-Backbone interact. energy: -0.681
local terms energy: -88.720166
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -21.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -237.408234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.408234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.408234 (E_RNA)
where:
Base-Base interactions energy: -149.727
where: short stacking energy: -85.789
Base-Backbone interact. energy: -0.264
local terms energy: -87.417004
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -22.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -221.641823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.641823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.641823 (E_RNA)
where:
Base-Base interactions energy: -128.158
where: short stacking energy: -78.570
Base-Backbone interact. energy: -0.077
local terms energy: -93.406765
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -20.788
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: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -146.591953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.591953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.591953 (E_RNA)
where:
Base-Base interactions energy: -61.690
where: short stacking energy: -48.613
Base-Backbone interact. energy: -0.190
local terms energy: -84.711750
where:
bonds (distance) C4'-P energy: -22.477
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -7.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -111.629551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.629551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.629551 (E_RNA)
where:
Base-Base interactions energy: -43.836
where: short stacking energy: -43.541
Base-Backbone interact. energy: -0.395
local terms energy: -67.398238
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -143.036561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.036561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.036561 (E_RNA)
where:
Base-Base interactions energy: -89.383
where: short stacking energy: -32.273
Base-Backbone interact. energy: -0.689
local terms energy: -52.964149
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -5.535
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: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -108.513009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.513009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.513009 (E_RNA)
where:
Base-Base interactions energy: -49.803
where: short stacking energy: -40.960
Base-Backbone interact. energy: 0.965
local terms energy: -59.675034
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -2.901
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: 10, replica: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -98.887446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.887446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.887446 (E_RNA)
where:
Base-Base interactions energy: -51.645
where: short stacking energy: -24.006
Base-Backbone interact. energy: 0.638
local terms energy: -47.879731
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -4.065
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -304.869481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.869481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.869481 (E_RNA)
where:
Base-Base interactions energy: -200.577
where: short stacking energy: -92.751
Base-Backbone interact. energy: -0.382
local terms energy: -103.911215
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -30.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -277.447714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.447714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.447714 (E_RNA)
where:
Base-Base interactions energy: -168.895
where: short stacking energy: -97.156
Base-Backbone interact. energy: 0.208
local terms energy: -108.761049
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: -26.201
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: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -261.585841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.585841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.585841 (E_RNA)
where:
Base-Base interactions energy: -164.939
where: short stacking energy: -72.478
Base-Backbone interact. energy: 1.168
local terms energy: -97.814979
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -24.036
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: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -239.247971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.247971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.247971 (E_RNA)
where:
Base-Base interactions energy: -152.103
where: short stacking energy: -82.857
Base-Backbone interact. energy: 0.159
local terms energy: -87.304382
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -206.327341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.327341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.327341 (E_RNA)
where:
Base-Base interactions energy: -122.652
where: short stacking energy: -67.278
Base-Backbone interact. energy: 0.216
local terms energy: -83.891522
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -19.250
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: 6, replica: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -124.219562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.219562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.219562 (E_RNA)
where:
Base-Base interactions energy: -47.247
where: short stacking energy: -41.182
Base-Backbone interact. energy: -0.584
local terms energy: -76.388701
where:
bonds (distance) C4'-P energy: -21.785
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -144.879978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.879978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.879978 (E_RNA)
where:
Base-Base interactions energy: -82.397
where: short stacking energy: -50.669
Base-Backbone interact. energy: -0.588
local terms energy: -61.894184
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -9.527
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: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -124.910409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.910409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.910409 (E_RNA)
where:
Base-Base interactions energy: -56.430
where: short stacking energy: -50.753
Base-Backbone interact. energy: -0.051
local terms energy: -68.429079
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -10.875
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: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -103.571146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.571146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.571146 (E_RNA)
where:
Base-Base interactions energy: -41.619
where: short stacking energy: -39.161
Base-Backbone interact. energy: 0.008
local terms energy: -61.959429
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -98.617139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.617139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.617139 (E_RNA)
where:
Base-Base interactions energy: -37.235
where: short stacking energy: -37.235
Base-Backbone interact. energy: -0.278
local terms energy: -61.103995
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -5.904
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -309.986542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.986542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.986542 (E_RNA)
where:
Base-Base interactions energy: -207.382
where: short stacking energy: -97.665
Base-Backbone interact. energy: -0.134
local terms energy: -102.470428
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -29.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -282.628174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.628174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.628174 (E_RNA)
where:
Base-Base interactions energy: -178.284
where: short stacking energy: -95.109
Base-Backbone interact. energy: -0.073
local terms energy: -104.271829
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -27.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -268.912424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.912424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.912424 (E_RNA)
where:
Base-Base interactions energy: -169.888
where: short stacking energy: -85.977
Base-Backbone interact. energy: -1.069
local terms energy: -97.954554
where:
bonds (distance) C4'-P energy: -22.186
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -24.026
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -20.799
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: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -216.836971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.836971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.836971 (E_RNA)
where:
Base-Base interactions energy: -128.248
where: short stacking energy: -72.724
Base-Backbone interact. energy: 0.584
local terms energy: -89.173090
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -20.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -188.642766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.642766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.642766 (E_RNA)
where:
Base-Base interactions energy: -106.614
where: short stacking energy: -50.484
Base-Backbone interact. energy: -0.371
local terms energy: -81.657366
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -18.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -157.625249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.625249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.625249 (E_RNA)
where:
Base-Base interactions energy: -80.010
where: short stacking energy: -46.627
Base-Backbone interact. energy: -0.371
local terms energy: -77.243431
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -21.248
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -8.347
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: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -124.009221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.009221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.009221 (E_RNA)
where:
Base-Base interactions energy: -53.331
where: short stacking energy: -53.331
Base-Backbone interact. energy: -0.065
local terms energy: -70.613629
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: 1.463
tors. eta vs tors. theta energy: -14.093
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: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -103.113329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.113329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.113329 (E_RNA)
where:
Base-Base interactions energy: -45.110
where: short stacking energy: -32.018
Base-Backbone interact. energy: -0.510
local terms energy: -57.493097
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -8.632
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: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -105.344256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.344256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.344256 (E_RNA)
where:
Base-Base interactions energy: -39.898
where: short stacking energy: -39.898
Base-Backbone interact. energy: -0.365
local terms energy: -65.081695
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -104.126713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.126713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.126713 (E_RNA)
where:
Base-Base interactions energy: -41.760
where: short stacking energy: -33.139
Base-Backbone interact. energy: 0.462
local terms energy: -62.828482
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -1.236
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -303.072907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.072907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.072907 (E_RNA)
where:
Base-Base interactions energy: -206.237
where: short stacking energy: -94.288
Base-Backbone interact. energy: -0.342
local terms energy: -96.493655
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -29.544
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: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -273.840819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.840819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.840819 (E_RNA)
where:
Base-Base interactions energy: -177.581
where: short stacking energy: -94.745
Base-Backbone interact. energy: -0.181
local terms energy: -96.078705
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -24.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -271.742883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.742883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.742883 (E_RNA)
where:
Base-Base interactions energy: -169.575
where: short stacking energy: -79.184
Base-Backbone interact. energy: -0.061
local terms energy: -102.106691
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -23.038
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -24.044
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: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -205.708228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.708228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.708228 (E_RNA)
where:
Base-Base interactions energy: -122.050
where: short stacking energy: -67.591
Base-Backbone interact. energy: -0.325
local terms energy: -83.333410
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -13.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -207.268540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.268540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.268540 (E_RNA)
where:
Base-Base interactions energy: -120.974
where: short stacking energy: -66.806
Base-Backbone interact. energy: -0.076
local terms energy: -86.218942
where:
bonds (distance) C4'-P energy: -19.972
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -170.338078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.338078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.338078 (E_RNA)
where:
Base-Base interactions energy: -93.818
where: short stacking energy: -52.440
Base-Backbone interact. energy: -0.112
local terms energy: -76.407913
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -11.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -124.690803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.690803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.690803 (E_RNA)
where:
Base-Base interactions energy: -59.404
where: short stacking energy: -38.824
Base-Backbone interact. energy: -0.791
local terms energy: -64.496275
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: 2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -113.167941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.167941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.167941 (E_RNA)
where:
Base-Base interactions energy: -36.599
where: short stacking energy: -34.672
Base-Backbone interact. energy: -0.189
local terms energy: -76.379930
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -110.011252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.011252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.011252 (E_RNA)
where:
Base-Base interactions energy: -49.146
where: short stacking energy: -48.739
Base-Backbone interact. energy: -0.382
local terms energy: -60.483351
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -100.370507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.370507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.370507 (E_RNA)
where:
Base-Base interactions energy: -54.954
where: short stacking energy: -44.712
Base-Backbone interact. energy: 0.271
local terms energy: -45.688311
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -5.152
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -309.046349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.046349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.046349 (E_RNA)
where:
Base-Base interactions energy: -202.448
where: short stacking energy: -96.104
Base-Backbone interact. energy: -0.147
local terms energy: -106.451589
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -27.241
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: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -277.611798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.611798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.611798 (E_RNA)
where:
Base-Base interactions energy: -177.939
where: short stacking energy: -87.618
Base-Backbone interact. energy: -0.096
local terms energy: -99.576264
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -25.739
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: 99
Temperature: 1.000000
Total energy: -263.246473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.246473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.246473 (E_RNA)
where:
Base-Base interactions energy: -167.014
where: short stacking energy: -81.811
Base-Backbone interact. energy: -1.417
local terms energy: -94.815305
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -26.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -233.766387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.766387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.766387 (E_RNA)
where:
Base-Base interactions energy: -149.849
where: short stacking energy: -70.464
Base-Backbone interact. energy: -1.222
local terms energy: -82.695926
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -15.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -210.346436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.346436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.346436 (E_RNA)
where:
Base-Base interactions energy: -119.191
where: short stacking energy: -78.075
Base-Backbone interact. energy: -0.014
local terms energy: -91.141988
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -14.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -157.999295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.999295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.999295 (E_RNA)
where:
Base-Base interactions energy: -78.262
where: short stacking energy: -48.880
Base-Backbone interact. energy: -0.775
local terms energy: -78.962396
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -6.616
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: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -126.106296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.106296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.106296 (E_RNA)
where:
Base-Base interactions energy: -47.254
where: short stacking energy: -47.254
Base-Backbone interact. energy: -0.114
local terms energy: -78.738873
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -22.307
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -8.404
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: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -142.118266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.118266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.118266 (E_RNA)
where:
Base-Base interactions energy: -67.926
where: short stacking energy: -51.003
Base-Backbone interact. energy: -0.123
local terms energy: -74.069903
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -22.498
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -109.508887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.508887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.508887 (E_RNA)
where:
Base-Base interactions energy: -39.554
where: short stacking energy: -38.119
Base-Backbone interact. energy: -1.100
local terms energy: -68.855023
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -4.404
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: 99
Temperature: 1.350000
Total energy: -104.316264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.316264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.316264 (E_RNA)
where:
Base-Base interactions energy: -45.821
where: short stacking energy: -45.437
Base-Backbone interact. energy: 2.132
local terms energy: -60.626790
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -6.278
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -312.046896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.046896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.046896 (E_RNA)
where:
Base-Base interactions energy: -209.950
where: short stacking energy: -101.041
Base-Backbone interact. energy: -0.096
local terms energy: -102.001653
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -29.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -287.953932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.953932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.953932 (E_RNA)
where:
Base-Base interactions energy: -194.304
where: short stacking energy: -95.508
Base-Backbone interact. energy: -0.103
local terms energy: -93.546861
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -25.448
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: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -267.473166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.473166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.473166 (E_RNA)
where:
Base-Base interactions energy: -169.159
where: short stacking energy: -87.870
Base-Backbone interact. energy: -0.035
local terms energy: -98.279515
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -22.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -239.103236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.103236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.103236 (E_RNA)
where:
Base-Base interactions energy: -145.252
where: short stacking energy: -78.901
Base-Backbone interact. energy: -0.088
local terms energy: -93.763276
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -15.118
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: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -210.485231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.485231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.485231 (E_RNA)
where:
Base-Base interactions energy: -130.626
where: short stacking energy: -67.069
Base-Backbone interact. energy: -1.365
local terms energy: -78.494131
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -18.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -185.656099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.656099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.656099 (E_RNA)
where:
Base-Base interactions energy: -99.071
where: short stacking energy: -73.608
Base-Backbone interact. energy: -0.021
local terms energy: -86.564145
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -144.935347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.935347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.935347 (E_RNA)
where:
Base-Base interactions energy: -81.343
where: short stacking energy: -31.428
Base-Backbone interact. energy: 0.895
local terms energy: -64.486431
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -0.142
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: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -125.900052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.900052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.900052 (E_RNA)
where:
Base-Base interactions energy: -53.198
where: short stacking energy: -31.612
Base-Backbone interact. energy: -0.451
local terms energy: -72.251537
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -104.164599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.164599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.164599 (E_RNA)
where:
Base-Base interactions energy: -42.849
where: short stacking energy: -24.009
Base-Backbone interact. energy: 0.300
local terms energy: -61.615514
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -7.657
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: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -100.904289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.904289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.904289 (E_RNA)
where:
Base-Base interactions energy: -40.908
where: short stacking energy: -36.087
Base-Backbone interact. energy: -0.316
local terms energy: -59.680277
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: 3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -301.770636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.770636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.770636 (E_RNA)
where:
Base-Base interactions energy: -195.327
where: short stacking energy: -94.512
Base-Backbone interact. energy: 0.500
local terms energy: -106.943745
where:
bonds (distance) C4'-P energy: -21.085
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -25.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -285.969668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.969668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.969668 (E_RNA)
where:
Base-Base interactions energy: -183.633
where: short stacking energy: -92.919
Base-Backbone interact. energy: -0.175
local terms energy: -102.161447
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -24.277
flat angles P-C4'-P energy: -16.680
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: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -274.833489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.833489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.833489 (E_RNA)
where:
Base-Base interactions energy: -169.111
where: short stacking energy: -87.557
Base-Backbone interact. energy: -0.197
local terms energy: -105.524843
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -23.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -213.386232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.386232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.386232 (E_RNA)
where:
Base-Base interactions energy: -127.393
where: short stacking energy: -73.402
Base-Backbone interact. energy: -0.588
local terms energy: -85.405044
where:
bonds (distance) C4'-P energy: -21.358
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -13.705
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: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -219.285752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.285752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.285752 (E_RNA)
where:
Base-Base interactions energy: -126.069
where: short stacking energy: -79.663
Base-Backbone interact. energy: -0.115
local terms energy: -93.101572
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -24.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -161.476579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.476579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.476579 (E_RNA)
where:
Base-Base interactions energy: -83.864
where: short stacking energy: -62.004
Base-Backbone interact. energy: -0.053
local terms energy: -77.559502
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -16.438
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: 101
Temperature: 1.200000
Total energy: -122.332381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.332381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.332381 (E_RNA)
where:
Base-Base interactions energy: -56.112
where: short stacking energy: -36.676
Base-Backbone interact. energy: -0.596
local terms energy: -65.624910
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -140.191458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.191458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.191458 (E_RNA)
where:
Base-Base interactions energy: -74.418
where: short stacking energy: -48.320
Base-Backbone interact. energy: -1.075
local terms energy: -64.698405
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -11.548
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: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -110.066496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.066496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.066496 (E_RNA)
where:
Base-Base interactions energy: -42.157
where: short stacking energy: -42.157
Base-Backbone interact. energy: -0.091
local terms energy: -67.818873
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -21.839
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -116.266479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.266479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.266479 (E_RNA)
where:
Base-Base interactions energy: -47.855
where: short stacking energy: -39.506
Base-Backbone interact. energy: 0.134
local terms energy: -68.545294
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -307.546381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.546381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.546381 (E_RNA)
where:
Base-Base interactions energy: -208.167
where: short stacking energy: -95.997
Base-Backbone interact. energy: -0.559
local terms energy: -98.820804
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -27.120
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: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -292.521182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.521182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.521182 (E_RNA)
where:
Base-Base interactions energy: -188.696
where: short stacking energy: -89.857
Base-Backbone interact. energy: -0.120
local terms energy: -103.704826
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -24.502
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -27.524
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: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -257.750101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.750101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.750101 (E_RNA)
where:
Base-Base interactions energy: -167.078
where: short stacking energy: -83.476
Base-Backbone interact. energy: -0.061
local terms energy: -90.610889
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -22.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -220.169370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.169370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.169370 (E_RNA)
where:
Base-Base interactions energy: -134.435
where: short stacking energy: -83.337
Base-Backbone interact. energy: -0.561
local terms energy: -85.173702
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -22.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -152.488473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.488473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.488473 (E_RNA)
where:
Base-Base interactions energy: -70.696
where: short stacking energy: -68.398
Base-Backbone interact. energy: -0.151
local terms energy: -81.641659
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -11.530
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: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -197.358444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.358444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.358444 (E_RNA)
where:
Base-Base interactions energy: -113.098
where: short stacking energy: -72.099
Base-Backbone interact. energy: -0.041
local terms energy: -84.219678
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -11.938
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: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -168.191102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.191102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.191102 (E_RNA)
where:
Base-Base interactions energy: -109.593
where: short stacking energy: -53.441
Base-Backbone interact. energy: 0.201
local terms energy: -58.798871
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -4.098
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: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -110.573287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.573287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.573287 (E_RNA)
where:
Base-Base interactions energy: -44.370
where: short stacking energy: -28.313
Base-Backbone interact. energy: -0.526
local terms energy: -65.677701
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -2.641
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: 102
Temperature: 1.300000
Total energy: -117.008619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.008619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.008619 (E_RNA)
where:
Base-Base interactions energy: -56.048
where: short stacking energy: -40.355
Base-Backbone interact. energy: 1.265
local terms energy: -62.225350
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -18.574
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -93.162318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.162318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.162318 (E_RNA)
where:
Base-Base interactions energy: -37.990
where: short stacking energy: -37.485
Base-Backbone interact. energy: 5.673
local terms energy: -60.845522
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -8.552
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -309.511110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.511110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.511110 (E_RNA)
where:
Base-Base interactions energy: -203.846
where: short stacking energy: -98.385
Base-Backbone interact. energy: -0.070
local terms energy: -105.595138
where:
bonds (distance) C4'-P energy: -19.571
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -30.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -264.983454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.983454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.983454 (E_RNA)
where:
Base-Base interactions energy: -174.464
where: short stacking energy: -89.326
Base-Backbone interact. energy: -0.369
local terms energy: -90.150398
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -24.042
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: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -274.568209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.568209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.568209 (E_RNA)
where:
Base-Base interactions energy: -179.264
where: short stacking energy: -88.132
Base-Backbone interact. energy: 0.625
local terms energy: -95.928699
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -233.534757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.534757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.534757 (E_RNA)
where:
Base-Base interactions energy: -151.948
where: short stacking energy: -75.441
Base-Backbone interact. energy: -0.819
local terms energy: -80.767703
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -11.328
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: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -151.801897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.801897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.801897 (E_RNA)
where:
Base-Base interactions energy: -70.947
where: short stacking energy: -49.075
Base-Backbone interact. energy: -0.338
local terms energy: -80.516674
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -9.164
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: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -167.336990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.336990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.336990 (E_RNA)
where:
Base-Base interactions energy: -91.676
where: short stacking energy: -45.717
Base-Backbone interact. energy: 2.391
local terms energy: -78.052288
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -5.411
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: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -187.618021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.618021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.618021 (E_RNA)
where:
Base-Base interactions energy: -112.568
where: short stacking energy: -67.719
Base-Backbone interact. energy: -0.255
local terms energy: -74.795238
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -13.162
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: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -105.533222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.533222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.533222 (E_RNA)
where:
Base-Base interactions energy: -38.482
where: short stacking energy: -28.142
Base-Backbone interact. energy: -0.293
local terms energy: -66.759047
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -1.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -97.336283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.336283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.336283 (E_RNA)
where:
Base-Base interactions energy: -36.051
where: short stacking energy: -30.111
Base-Backbone interact. energy: -0.496
local terms energy: -60.789887
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -94.145257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.145257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.145257 (E_RNA)
where:
Base-Base interactions energy: -33.165
where: short stacking energy: -32.876
Base-Backbone interact. energy: -0.227
local terms energy: -60.752966
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: -3.570
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -312.237911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.237911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.237911 (E_RNA)
where:
Base-Base interactions energy: -201.799
where: short stacking energy: -98.007
Base-Backbone interact. energy: -0.364
local terms energy: -110.074368
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -28.292
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: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -263.045817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.045817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.045817 (E_RNA)
where:
Base-Base interactions energy: -170.891
where: short stacking energy: -89.254
Base-Backbone interact. energy: -0.295
local terms energy: -91.860347
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -25.630
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: 104
Temperature: 1.000000
Total energy: -262.661267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.661267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.661267 (E_RNA)
where:
Base-Base interactions energy: -161.778
where: short stacking energy: -86.437
Base-Backbone interact. energy: -0.747
local terms energy: -100.136121
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -21.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -224.737571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.737571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.737571 (E_RNA)
where:
Base-Base interactions energy: -138.403
where: short stacking energy: -73.484
Base-Backbone interact. energy: 0.377
local terms energy: -86.711798
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -23.776
flat angles P-C4'-P energy: -13.216
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: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -158.845267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.845267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.845267 (E_RNA)
where:
Base-Base interactions energy: -82.920
where: short stacking energy: -57.019
Base-Backbone interact. energy: -0.097
local terms energy: -75.827524
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -14.720
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: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -130.776677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.776677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.776677 (E_RNA)
where:
Base-Base interactions energy: -48.795
where: short stacking energy: -37.083
Base-Backbone interact. energy: -0.634
local terms energy: -81.348356
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -7.334
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: 7, replica: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -189.969031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.969031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.969031 (E_RNA)
where:
Base-Base interactions energy: -113.206
where: short stacking energy: -66.095
Base-Backbone interact. energy: -0.642
local terms energy: -76.120835
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -17.868
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: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -115.693807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.693807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.693807 (E_RNA)
where:
Base-Base interactions energy: -49.514
where: short stacking energy: -46.142
Base-Backbone interact. energy: -0.327
local terms energy: -65.852613
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -14.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -101.142707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.142707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.142707 (E_RNA)
where:
Base-Base interactions energy: -33.050
where: short stacking energy: -20.338
Base-Backbone interact. energy: -1.055
local terms energy: -67.037185
where:
bonds (distance) C4'-P energy: -22.062
bonds (distance) P-C4' energy: -20.713
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: 2.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -89.201621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.201621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.201621 (E_RNA)
where:
Base-Base interactions energy: -36.910
where: short stacking energy: -28.738
Base-Backbone interact. energy: -0.112
local terms energy: -52.179550
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: 1.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -305.560473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.560473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.560473 (E_RNA)
where:
Base-Base interactions energy: -203.429
where: short stacking energy: -99.212
Base-Backbone interact. energy: -1.579
local terms energy: -100.552698
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -21.338
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -27.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -265.157538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.157538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.157538 (E_RNA)
where:
Base-Base interactions energy: -167.208
where: short stacking energy: -78.589
Base-Backbone interact. energy: -0.249
local terms energy: -97.700463
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -21.905
flat angles P-C4'-P energy: -18.823
tors. eta vs tors. theta energy: -22.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -250.672639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.672639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.672639 (E_RNA)
where:
Base-Base interactions energy: -164.157
where: short stacking energy: -77.654
Base-Backbone interact. energy: -0.208
local terms energy: -86.307019
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -18.317
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -219.933511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.933511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.933511 (E_RNA)
where:
Base-Base interactions energy: -127.692
where: short stacking energy: -80.347
Base-Backbone interact. energy: -0.104
local terms energy: -92.136908
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -22.648
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: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -176.830738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.830738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.830738 (E_RNA)
where:
Base-Base interactions energy: -87.025
where: short stacking energy: -61.492
Base-Backbone interact. energy: -0.502
local terms energy: -89.303931
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -12.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -192.100885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.100885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.100885 (E_RNA)
where:
Base-Base interactions energy: -114.744
where: short stacking energy: -52.471
Base-Backbone interact. energy: -1.493
local terms energy: -75.863253
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -121.478437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.478437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.478437 (E_RNA)
where:
Base-Base interactions energy: -59.851
where: short stacking energy: -59.851
Base-Backbone interact. energy: -0.119
local terms energy: -61.507973
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -7.471
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: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -149.752337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.752337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.752337 (E_RNA)
where:
Base-Base interactions energy: -77.244
where: short stacking energy: -49.935
Base-Backbone interact. energy: -0.731
local terms energy: -71.776945
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -113.163644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.163644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.163644 (E_RNA)
where:
Base-Base interactions energy: -57.402
where: short stacking energy: -36.231
Base-Backbone interact. energy: -0.508
local terms energy: -55.254097
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -102.435861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.435861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.435861 (E_RNA)
where:
Base-Base interactions energy: -41.083
where: short stacking energy: -35.191
Base-Backbone interact. energy: -0.098
local terms energy: -61.254853
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -1.721
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -303.865969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.865969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.865969 (E_RNA)
where:
Base-Base interactions energy: -202.063
where: short stacking energy: -93.141
Base-Backbone interact. energy: -0.346
local terms energy: -101.456565
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -274.761935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.761935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.761935 (E_RNA)
where:
Base-Base interactions energy: -174.399
where: short stacking energy: -88.674
Base-Backbone interact. energy: -0.289
local terms energy: -100.074020
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -22.321
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -27.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -259.665325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.665325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.665325 (E_RNA)
where:
Base-Base interactions energy: -164.837
where: short stacking energy: -87.869
Base-Backbone interact. energy: -0.029
local terms energy: -94.798736
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -24.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -233.071443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.071443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.071443 (E_RNA)
where:
Base-Base interactions energy: -135.586
where: short stacking energy: -90.320
Base-Backbone interact. energy: -0.047
local terms energy: -97.438610
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -20.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -197.587663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.587663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.587663 (E_RNA)
where:
Base-Base interactions energy: -119.549
where: short stacking energy: -80.585
Base-Backbone interact. energy: -0.082
local terms energy: -77.956410
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -122.698032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.698032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.698032 (E_RNA)
where:
Base-Base interactions energy: -50.050
where: short stacking energy: -50.050
Base-Backbone interact. energy: 0.341
local terms energy: -72.989047
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -24.138
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -116.493464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.493464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.493464 (E_RNA)
where:
Base-Base interactions energy: -64.581
where: short stacking energy: -47.318
Base-Backbone interact. energy: 0.393
local terms energy: -52.305289
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -133.235457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.235457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.235457 (E_RNA)
where:
Base-Base interactions energy: -64.342
where: short stacking energy: -49.990
Base-Backbone interact. energy: -0.878
local terms energy: -68.015350
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -8.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -104.169158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.169158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.169158 (E_RNA)
where:
Base-Base interactions energy: -37.321
where: short stacking energy: -37.153
Base-Backbone interact. energy: 0.789
local terms energy: -67.637878
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -105.952320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.952320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.952320 (E_RNA)
where:
Base-Base interactions energy: -40.609
where: short stacking energy: -39.377
Base-Backbone interact. energy: 0.114
local terms energy: -65.457359
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -20.264
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -7.294
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -304.683456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.683456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.683456 (E_RNA)
where:
Base-Base interactions energy: -200.247
where: short stacking energy: -90.628
Base-Backbone interact. energy: -0.024
local terms energy: -104.412187
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -15.373
tors. eta vs tors. theta energy: -26.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -265.119945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.119945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.119945 (E_RNA)
where:
Base-Base interactions energy: -173.706
where: short stacking energy: -89.651
Base-Backbone interact. energy: -0.150
local terms energy: -91.264451
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -13.962
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: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -256.280573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.280573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.280573 (E_RNA)
where:
Base-Base interactions energy: -162.210
where: short stacking energy: -86.162
Base-Backbone interact. energy: -0.354
local terms energy: -93.716789
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -21.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -214.699603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.699603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.699603 (E_RNA)
where:
Base-Base interactions energy: -125.880
where: short stacking energy: -72.555
Base-Backbone interact. energy: -0.024
local terms energy: -88.795943
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -14.903
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: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -217.526354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.526354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.526354 (E_RNA)
where:
Base-Base interactions energy: -126.530
where: short stacking energy: -79.350
Base-Backbone interact. energy: -0.094
local terms energy: -90.902318
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -20.543
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: 107
Temperature: 1.150000
Total energy: -137.803044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.803044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.803044 (E_RNA)
where:
Base-Base interactions energy: -61.865
where: short stacking energy: -47.992
Base-Backbone interact. energy: 0.152
local terms energy: -76.089712
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -11.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -125.319281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.319281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.319281 (E_RNA)
where:
Base-Base interactions energy: -64.755
where: short stacking energy: -41.497
Base-Backbone interact. energy: 2.234
local terms energy: -62.798169
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -18.388
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -3.485
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: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -105.243880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.243880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.243880 (E_RNA)
where:
Base-Base interactions energy: -36.484
where: short stacking energy: -34.154
Base-Backbone interact. energy: -0.212
local terms energy: -68.547847
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: 0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -106.729229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.729229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.729229 (E_RNA)
where:
Base-Base interactions energy: -35.469
where: short stacking energy: -30.182
Base-Backbone interact. energy: -0.204
local terms energy: -71.055952
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -95.307462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.307462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.307462 (E_RNA)
where:
Base-Base interactions energy: -34.228
where: short stacking energy: -34.228
Base-Backbone interact. energy: 0.412
local terms energy: -61.491215
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -2.150
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -307.788430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.788430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.788430 (E_RNA)
where:
Base-Base interactions energy: -203.688
where: short stacking energy: -94.578
Base-Backbone interact. energy: 0.081
local terms energy: -104.180902
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -25.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -273.715905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.715905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.715905 (E_RNA)
where:
Base-Base interactions energy: -175.516
where: short stacking energy: -95.531
Base-Backbone interact. energy: 0.385
local terms energy: -98.584993
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -21.777
flat angles C4'-P-C4' energy: -23.415
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -25.031
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: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -217.159395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.159395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.159395 (E_RNA)
where:
Base-Base interactions energy: -116.775
where: short stacking energy: -78.673
Base-Backbone interact. energy: -0.783
local terms energy: -99.601887
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -24.597
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: 108
Temperature: 1.050000
Total energy: -237.668737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.668737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.668737 (E_RNA)
where:
Base-Base interactions energy: -147.012
where: short stacking energy: -79.031
Base-Backbone interact. energy: -1.184
local terms energy: -89.472188
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -208.533984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.533984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.533984 (E_RNA)
where:
Base-Base interactions energy: -117.939
where: short stacking energy: -80.785
Base-Backbone interact. energy: -0.525
local terms energy: -90.069870
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -22.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -127.355402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.355402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.355402 (E_RNA)
where:
Base-Base interactions energy: -46.516
where: short stacking energy: -41.941
Base-Backbone interact. energy: -0.816
local terms energy: -80.023480
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -11.348
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: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -138.469193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.469193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.469193 (E_RNA)
where:
Base-Base interactions energy: -67.202
where: short stacking energy: -41.855
Base-Backbone interact. energy: -0.173
local terms energy: -71.094111
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -120.666708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.666708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.666708 (E_RNA)
where:
Base-Base interactions energy: -49.678
where: short stacking energy: -43.851
Base-Backbone interact. energy: 0.840
local terms energy: -71.828385
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -18.997
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -8.939
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: 108
Temperature: 1.300000
Total energy: -108.685552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.685552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.685552 (E_RNA)
where:
Base-Base interactions energy: -40.754
where: short stacking energy: -32.225
Base-Backbone interact. energy: -0.606
local terms energy: -67.325258
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -23.018
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -98.548913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.548913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.548913 (E_RNA)
where:
Base-Base interactions energy: -54.706
where: short stacking energy: -45.209
Base-Backbone interact. energy: -0.019
local terms energy: -43.823711
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -1.356
tors. eta vs tors. theta energy: -2.008
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -298.293134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.293134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.293134 (E_RNA)
where:
Base-Base interactions energy: -201.996
where: short stacking energy: -89.784
Base-Backbone interact. energy: -0.751
local terms energy: -95.546014
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -22.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -269.786370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.786370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.786370 (E_RNA)
where:
Base-Base interactions energy: -165.532
where: short stacking energy: -86.907
Base-Backbone interact. energy: -1.478
local terms energy: -102.776138
where:
bonds (distance) C4'-P energy: -20.020
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -15.874
tors. eta vs tors. theta energy: -25.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -215.794440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.794440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.794440 (E_RNA)
where:
Base-Base interactions energy: -122.658
where: short stacking energy: -86.382
Base-Backbone interact. energy: -0.547
local terms energy: -92.588824
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -21.873
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -21.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -216.254984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.254984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.254984 (E_RNA)
where:
Base-Base interactions energy: -124.839
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.039
local terms energy: -91.376606
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -18.106
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: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -245.885302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.885302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.885302 (E_RNA)
where:
Base-Base interactions energy: -149.360
where: short stacking energy: -75.380
Base-Backbone interact. energy: -0.329
local terms energy: -96.196668
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -21.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -169.242780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.242780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.242780 (E_RNA)
where:
Base-Base interactions energy: -84.349
where: short stacking energy: -62.957
Base-Backbone interact. energy: 0.745
local terms energy: -85.638139
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -16.370
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: 7, replica: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -126.766757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.766757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.766757 (E_RNA)
where:
Base-Base interactions energy: -61.715
where: short stacking energy: -45.290
Base-Backbone interact. energy: 1.523
local terms energy: -66.574861
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -115.226962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.226962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.226962 (E_RNA)
where:
Base-Base interactions energy: -49.544
where: short stacking energy: -48.902
Base-Backbone interact. energy: -0.102
local terms energy: -65.581437
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -11.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -111.233866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.233866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.233866 (E_RNA)
where:
Base-Base interactions energy: -54.723
where: short stacking energy: -37.455
Base-Backbone interact. energy: 0.704
local terms energy: -57.214670
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -103.602947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.602947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.602947 (E_RNA)
where:
Base-Base interactions energy: -33.458
where: short stacking energy: -25.476
Base-Backbone interact. energy: -0.176
local terms energy: -69.968499
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -4.428
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -275.719170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.719170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.719170 (E_RNA)
where:
Base-Base interactions energy: -176.378
where: short stacking energy: -95.871
Base-Backbone interact. energy: 0.186
local terms energy: -99.526967
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -24.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -290.803133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.803133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.803133 (E_RNA)
where:
Base-Base interactions energy: -194.765
where: short stacking energy: -94.183
Base-Backbone interact. energy: 1.783
local terms energy: -97.821186
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -23.507
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -25.710
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: 4
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -212.997519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.997519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.997519 (E_RNA)
where:
Base-Base interactions energy: -119.377
where: short stacking energy: -73.825
Base-Backbone interact. energy: -1.608
local terms energy: -92.011745
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -20.944
flat angles P-C4'-P energy: -14.080
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: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -205.327654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.327654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.327654 (E_RNA)
where:
Base-Base interactions energy: -123.626
where: short stacking energy: -77.314
Base-Backbone interact. energy: -0.148
local terms energy: -81.553532
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -18.391
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: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -257.027339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.027339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.027339 (E_RNA)
where:
Base-Base interactions energy: -161.969
where: short stacking energy: -85.995
Base-Backbone interact. energy: -0.240
local terms energy: -94.818058
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -24.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -174.434808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.434808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.434808 (E_RNA)
where:
Base-Base interactions energy: -93.108
where: short stacking energy: -56.070
Base-Backbone interact. energy: -0.368
local terms energy: -80.959574
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -12.139
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: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -122.250114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.250114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.250114 (E_RNA)
where:
Base-Base interactions energy: -41.371
where: short stacking energy: -41.371
Base-Backbone interact. energy: -0.549
local terms energy: -80.329810
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -154.206287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.206287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.206287 (E_RNA)
where:
Base-Base interactions energy: -82.098
where: short stacking energy: -50.068
Base-Backbone interact. energy: -0.085
local terms energy: -72.023762
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -10.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -105.671333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.671333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.671333 (E_RNA)
where:
Base-Base interactions energy: -39.019
where: short stacking energy: -36.253
Base-Backbone interact. energy: -0.302
local terms energy: -66.350301
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: 3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -96.017122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.017122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.017122 (E_RNA)
where:
Base-Base interactions energy: -29.702
where: short stacking energy: -26.288
Base-Backbone interact. energy: -0.334
local terms energy: -65.980351
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: 1.396
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -277.938663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.938663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.938663 (E_RNA)
where:
Base-Base interactions energy: -174.264
where: short stacking energy: -98.612
Base-Backbone interact. energy: -0.023
local terms energy: -103.651462
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -26.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -291.200769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.200769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.200769 (E_RNA)
where:
Base-Base interactions energy: -187.147
where: short stacking energy: -98.613
Base-Backbone interact. energy: -0.191
local terms energy: -103.862937
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -26.421
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: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -229.105481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.105481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.105481 (E_RNA)
where:
Base-Base interactions energy: -140.748
where: short stacking energy: -74.838
Base-Backbone interact. energy: -1.394
local terms energy: -86.963742
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -249.136344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.136344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.136344 (E_RNA)
where:
Base-Base interactions energy: -151.549
where: short stacking energy: -77.441
Base-Backbone interact. energy: -0.309
local terms energy: -97.277538
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -23.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -194.465979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.465979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.465979 (E_RNA)
where:
Base-Base interactions energy: -111.785
where: short stacking energy: -59.603
Base-Backbone interact. energy: -0.127
local terms energy: -82.554797
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -15.131
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: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -168.483959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.483959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.483959 (E_RNA)
where:
Base-Base interactions energy: -104.041
where: short stacking energy: -50.176
Base-Backbone interact. energy: -0.085
local terms energy: -64.358323
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -110.519587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.519587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.519587 (E_RNA)
where:
Base-Base interactions energy: -53.209
where: short stacking energy: -42.052
Base-Backbone interact. energy: -0.220
local terms energy: -57.090693
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -6.184
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -11.941
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: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -150.192417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.192417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.192417 (E_RNA)
where:
Base-Base interactions energy: -72.468
where: short stacking energy: -50.145
Base-Backbone interact. energy: 0.287
local terms energy: -78.011422
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -144.042423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.042423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.042423 (E_RNA)
where:
Base-Base interactions energy: -63.902
where: short stacking energy: -33.062
Base-Backbone interact. energy: -1.615
local terms energy: -78.525111
where:
bonds (distance) C4'-P energy: -21.300
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -104.214252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.214252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.214252 (E_RNA)
where:
Base-Base interactions energy: -35.426
where: short stacking energy: -35.426
Base-Backbone interact. energy: -0.084
local terms energy: -68.703833
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -14.386
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -308.147707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.147707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.147707 (E_RNA)
where:
Base-Base interactions energy: -207.907
where: short stacking energy: -95.383
Base-Backbone interact. energy: 1.554
local terms energy: -101.795127
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -25.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -273.041451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.041451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.041451 (E_RNA)
where:
Base-Base interactions energy: -172.214
where: short stacking energy: -92.314
Base-Backbone interact. energy: 0.265
local terms energy: -101.092321
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: -24.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -258.923657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.923657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.923657 (E_RNA)
where:
Base-Base interactions energy: -168.353
where: short stacking energy: -91.756
Base-Backbone interact. energy: -1.810
local terms energy: -88.760586
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -21.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -228.451871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.451871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.451871 (E_RNA)
where:
Base-Base interactions energy: -144.958
where: short stacking energy: -67.414
Base-Backbone interact. energy: -1.523
local terms energy: -81.971254
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -9.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -205.820573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.820573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.820573 (E_RNA)
where:
Base-Base interactions energy: -120.017
where: short stacking energy: -72.269
Base-Backbone interact. energy: -0.883
local terms energy: -84.920733
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -20.469
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: 112
Temperature: 1.150000
Total energy: -148.251496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.251496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.251496 (E_RNA)
where:
Base-Base interactions energy: -86.963
where: short stacking energy: -47.275
Base-Backbone interact. energy: 1.979
local terms energy: -63.267266
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -161.583843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.583843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.583843 (E_RNA)
where:
Base-Base interactions energy: -95.305
where: short stacking energy: -48.577
Base-Backbone interact. energy: 0.173
local terms energy: -66.451550
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -10.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -119.647142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.647142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.647142 (E_RNA)
where:
Base-Base interactions energy: -46.446
where: short stacking energy: -30.477
Base-Backbone interact. energy: -0.563
local terms energy: -72.637857
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -24.445
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: 0.084
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: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -105.795527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.795527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.795527 (E_RNA)
where:
Base-Base interactions energy: -43.380
where: short stacking energy: -31.158
Base-Backbone interact. energy: -0.332
local terms energy: -62.083681
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: 0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -103.999725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.999725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.999725 (E_RNA)
where:
Base-Base interactions energy: -40.191
where: short stacking energy: -41.791
Base-Backbone interact. energy: 0.474
local terms energy: -64.282698
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -21.528
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: 1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -294.562306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.562306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.562306 (E_RNA)
where:
Base-Base interactions energy: -199.045
where: short stacking energy: -96.319
Base-Backbone interact. energy: -1.382
local terms energy: -94.136170
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -26.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -264.304130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.304130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.304130 (E_RNA)
where:
Base-Base interactions energy: -162.075
where: short stacking energy: -84.353
Base-Backbone interact. energy: -0.841
local terms energy: -101.387680
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -23.553
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -258.153355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.153355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.153355 (E_RNA)
where:
Base-Base interactions energy: -165.404
where: short stacking energy: -90.623
Base-Backbone interact. energy: -0.230
local terms energy: -92.519010
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -19.401
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -16.062
tors. eta vs tors. theta energy: -20.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -239.874304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.874304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.874304 (E_RNA)
where:
Base-Base interactions energy: -144.024
where: short stacking energy: -83.710
Base-Backbone interact. energy: 0.274
local terms energy: -96.124174
where:
bonds (distance) C4'-P energy: -22.236
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -20.463
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: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -163.955575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.955575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.955575 (E_RNA)
where:
Base-Base interactions energy: -84.976
where: short stacking energy: -48.997
Base-Backbone interact. energy: -0.370
local terms energy: -78.609055
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -127.853239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.853239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.853239 (E_RNA)
where:
Base-Base interactions energy: -60.123
where: short stacking energy: -51.838
Base-Backbone interact. energy: 1.188
local terms energy: -68.918421
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -121.398696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.398696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.398696 (E_RNA)
where:
Base-Base interactions energy: -60.398
where: short stacking energy: -55.695
Base-Backbone interact. energy: -1.543
local terms energy: -59.458099
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -4.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -148.447897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.447897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.447897 (E_RNA)
where:
Base-Base interactions energy: -84.880
where: short stacking energy: -45.692
Base-Backbone interact. energy: -0.703
local terms energy: -62.864682
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -6.114
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: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -109.255011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.255011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.255011 (E_RNA)
where:
Base-Base interactions energy: -50.387
where: short stacking energy: -37.266
Base-Backbone interact. energy: -0.471
local terms energy: -58.396754
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -94.923713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.923713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.923713 (E_RNA)
where:
Base-Base interactions energy: -28.153
where: short stacking energy: -24.197
Base-Backbone interact. energy: -0.155
local terms energy: -66.615903
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -308.760980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.760980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.760980 (E_RNA)
where:
Base-Base interactions energy: -198.721
where: short stacking energy: -93.896
Base-Backbone interact. energy: -0.549
local terms energy: -109.491593
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -27.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -255.609736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.609736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.609736 (E_RNA)
where:
Base-Base interactions energy: -158.329
where: short stacking energy: -76.714
Base-Backbone interact. energy: 0.949
local terms energy: -98.230229
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -23.211
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -18.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -234.047633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.047633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.047633 (E_RNA)
where:
Base-Base interactions energy: -148.402
where: short stacking energy: -57.725
Base-Backbone interact. energy: -0.677
local terms energy: -84.969000
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -12.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -268.635423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.635423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.635423 (E_RNA)
where:
Base-Base interactions energy: -177.066
where: short stacking energy: -87.185
Base-Backbone interact. energy: -0.078
local terms energy: -91.491780
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -15.938
tors. eta vs tors. theta energy: -17.996
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: 5, replica: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -201.557253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.557253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.557253 (E_RNA)
where:
Base-Base interactions energy: -108.708
where: short stacking energy: -63.245
Base-Backbone interact. energy: -0.158
local terms energy: -92.691151
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -22.644
flat angles P-C4'-P energy: -17.620
tors. eta vs tors. theta energy: -13.928
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: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -156.269538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.269538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.269538 (E_RNA)
where:
Base-Base interactions energy: -78.457
where: short stacking energy: -44.083
Base-Backbone interact. energy: 3.303
local terms energy: -81.115644
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -15.742
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: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -156.695339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.695339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.695339 (E_RNA)
where:
Base-Base interactions energy: -80.058
where: short stacking energy: -42.063
Base-Backbone interact. energy: -0.051
local terms energy: -76.585760
where:
bonds (distance) C4'-P energy: -21.793
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -119.138821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.138821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.138821 (E_RNA)
where:
Base-Base interactions energy: -53.563
where: short stacking energy: -31.384
Base-Backbone interact. energy: -0.332
local terms energy: -65.243945
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -121.533056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.533056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.533056 (E_RNA)
where:
Base-Base interactions energy: -57.719
where: short stacking energy: -35.990
Base-Backbone interact. energy: -0.189
local terms energy: -63.625066
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -112.664990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.664990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.664990 (E_RNA)
where:
Base-Base interactions energy: -43.164
where: short stacking energy: -33.119
Base-Backbone interact. energy: -0.175
local terms energy: -69.326138
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: 0.706
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -308.575961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.575961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.575961 (E_RNA)
where:
Base-Base interactions energy: -190.886
where: short stacking energy: -95.048
Base-Backbone interact. energy: -0.241
local terms energy: -117.449451
where:
bonds (distance) C4'-P energy: -22.683
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -29.336
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: 115
Temperature: 0.950000
Total energy: -259.308848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.308848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.308848 (E_RNA)
where:
Base-Base interactions energy: -164.953
where: short stacking energy: -91.470
Base-Backbone interact. energy: -1.098
local terms energy: -93.257210
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -21.173
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: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -238.468472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.468472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.468472 (E_RNA)
where:
Base-Base interactions energy: -138.709
where: short stacking energy: -78.108
Base-Backbone interact. energy: 1.402
local terms energy: -101.161616
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -22.544
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -21.221
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: 5
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -253.043744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.043744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.043744 (E_RNA)
where:
Base-Base interactions energy: -164.741
where: short stacking energy: -86.479
Base-Backbone interact. energy: -0.058
local terms energy: -88.245314
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -19.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -202.661573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.661573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.661573 (E_RNA)
where:
Base-Base interactions energy: -116.952
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.523
local terms energy: -85.186475
where:
bonds (distance) C4'-P energy: -19.918
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -14.719
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: 6, replica: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -123.301889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.301889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.301889 (E_RNA)
where:
Base-Base interactions energy: -59.489
where: short stacking energy: -42.149
Base-Backbone interact. energy: -1.060
local terms energy: -62.752342
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -8.200
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: 115
Temperature: 1.200000
Total energy: -134.701032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.701032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.701032 (E_RNA)
where:
Base-Base interactions energy: -70.825
where: short stacking energy: -43.550
Base-Backbone interact. energy: -0.198
local terms energy: -63.677752
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -7.682
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: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -122.335571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.335571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.335571 (E_RNA)
where:
Base-Base interactions energy: -60.975
where: short stacking energy: -44.452
Base-Backbone interact. energy: 0.227
local terms energy: -61.587681
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -146.242795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.242795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.242795 (E_RNA)
where:
Base-Base interactions energy: -75.732
where: short stacking energy: -44.713
Base-Backbone interact. energy: -0.167
local terms energy: -70.343842
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -100.121947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.121947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.121947 (E_RNA)
where:
Base-Base interactions energy: -31.622
where: short stacking energy: -31.622
Base-Backbone interact. energy: -0.054
local terms energy: -68.445474
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -309.359442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.359442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.359442 (E_RNA)
where:
Base-Base interactions energy: -205.684
where: short stacking energy: -94.835
Base-Backbone interact. energy: -0.483
local terms energy: -103.192461
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -23.299
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: 116
Temperature: 0.950000
Total energy: -256.714985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.714985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.714985 (E_RNA)
where:
Base-Base interactions energy: -168.407
where: short stacking energy: -83.033
Base-Backbone interact. energy: -0.396
local terms energy: -87.912151
where:
bonds (distance) C4'-P energy: -18.374
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -21.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -263.939702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.939702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.939702 (E_RNA)
where:
Base-Base interactions energy: -171.677
where: short stacking energy: -87.808
Base-Backbone interact. energy: -0.021
local terms energy: -92.241693
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -21.096
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -232.474478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.474478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.474478 (E_RNA)
where:
Base-Base interactions energy: -140.272
where: short stacking energy: -80.549
Base-Backbone interact. energy: -0.773
local terms energy: -91.429573
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -205.227174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.227174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.227174 (E_RNA)
where:
Base-Base interactions energy: -115.480
where: short stacking energy: -66.538
Base-Backbone interact. energy: -0.078
local terms energy: -89.670049
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -20.720
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: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -139.525270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.525270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.525270 (E_RNA)
where:
Base-Base interactions energy: -73.946
where: short stacking energy: -37.885
Base-Backbone interact. energy: -1.074
local terms energy: -64.505642
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -2.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -124.005620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.005620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.005620 (E_RNA)
where:
Base-Base interactions energy: -58.077
where: short stacking energy: -48.496
Base-Backbone interact. energy: -0.239
local terms energy: -65.689430
where:
bonds (distance) C4'-P energy: -20.775
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -8.501
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: 8, replica: 3
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -116.784197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.784197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.784197 (E_RNA)
where:
Base-Base interactions energy: -48.401
where: short stacking energy: -46.565
Base-Backbone interact. energy: -0.756
local terms energy: -67.627343
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -10.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -111.482239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.482239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.482239 (E_RNA)
where:
Base-Base interactions energy: -38.471
where: short stacking energy: -33.874
Base-Backbone interact. energy: -0.993
local terms energy: -72.018573
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -23.831
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -104.027182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.027182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.027182 (E_RNA)
where:
Base-Base interactions energy: -38.822
where: short stacking energy: -38.822
Base-Backbone interact. energy: -1.646
local terms energy: -63.559050
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -20.407
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.127
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -302.547137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.547137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.547137 (E_RNA)
where:
Base-Base interactions energy: -199.340
where: short stacking energy: -86.339
Base-Backbone interact. energy: 0.643
local terms energy: -103.850100
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -27.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -283.760698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.760698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.760698 (E_RNA)
where:
Base-Base interactions energy: -178.442
where: short stacking energy: -90.950
Base-Backbone interact. energy: -1.582
local terms energy: -103.736468
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -27.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -249.567670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.567670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.567670 (E_RNA)
where:
Base-Base interactions energy: -161.663
where: short stacking energy: -80.130
Base-Backbone interact. energy: -0.489
local terms energy: -87.415896
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -20.751
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: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -247.389743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.389743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.389743 (E_RNA)
where:
Base-Base interactions energy: -142.556
where: short stacking energy: -81.506
Base-Backbone interact. energy: 0.135
local terms energy: -104.969211
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -26.470
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: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -207.795104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.795104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.795104 (E_RNA)
where:
Base-Base interactions energy: -125.291
where: short stacking energy: -64.237
Base-Backbone interact. energy: -1.006
local terms energy: -81.498271
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -12.536
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: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -158.658289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.658289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.658289 (E_RNA)
where:
Base-Base interactions energy: -77.436
where: short stacking energy: -53.377
Base-Backbone interact. energy: -0.066
local terms energy: -81.155602
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -14.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -120.640175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.640175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.640175 (E_RNA)
where:
Base-Base interactions energy: -61.867
where: short stacking energy: -49.106
Base-Backbone interact. energy: -0.173
local terms energy: -58.600333
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -13.058
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: 8, replica: 3
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -132.517237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.517237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.517237 (E_RNA)
where:
Base-Base interactions energy: -61.493
where: short stacking energy: -48.424
Base-Backbone interact. energy: 0.721
local terms energy: -71.745369
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -5.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -103.081150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.081150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.081150 (E_RNA)
where:
Base-Base interactions energy: -42.832
where: short stacking energy: -39.366
Base-Backbone interact. energy: -0.403
local terms energy: -59.846229
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -103.746492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.746492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.746492 (E_RNA)
where:
Base-Base interactions energy: -42.591
where: short stacking energy: -39.050
Base-Backbone interact. energy: 0.900
local terms energy: -62.055675
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -308.288024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.288024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.288024 (E_RNA)
where:
Base-Base interactions energy: -207.966
where: short stacking energy: -96.725
Base-Backbone interact. energy: -0.197
local terms energy: -100.125656
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -20.962
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -21.580
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: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -276.433787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.433787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.433787 (E_RNA)
where:
Base-Base interactions energy: -172.630
where: short stacking energy: -87.820
Base-Backbone interact. energy: -1.664
local terms energy: -102.139674
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -22.267
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -24.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -266.992600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.992600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.992600 (E_RNA)
where:
Base-Base interactions energy: -175.223
where: short stacking energy: -91.018
Base-Backbone interact. energy: -0.864
local terms energy: -90.905261
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -22.809
flat angles P-C4'-P energy: -9.601
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: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -230.705706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.705706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.705706 (E_RNA)
where:
Base-Base interactions energy: -147.535
where: short stacking energy: -85.615
Base-Backbone interact. energy: -0.155
local terms energy: -83.016129
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -16.704
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: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -233.328370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.328370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.328370 (E_RNA)
where:
Base-Base interactions energy: -138.835
where: short stacking energy: -80.309
Base-Backbone interact. energy: 0.814
local terms energy: -95.307718
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -25.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -177.843451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.843451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.843451 (E_RNA)
where:
Base-Base interactions energy: -104.150
where: short stacking energy: -65.300
Base-Backbone interact. energy: 3.049
local terms energy: -76.743205
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -15.665
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: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -132.329283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.329283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.329283 (E_RNA)
where:
Base-Base interactions energy: -51.951
where: short stacking energy: -49.669
Base-Backbone interact. energy: -0.205
local terms energy: -80.173306
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -25.044
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -121.960891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.960891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.960891 (E_RNA)
where:
Base-Base interactions energy: -50.137
where: short stacking energy: -50.137
Base-Backbone interact. energy: -0.115
local terms energy: -71.709443
where:
bonds (distance) C4'-P energy: -19.210
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -9.974
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -9.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -109.963783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.963783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.963783 (E_RNA)
where:
Base-Base interactions energy: -44.298
where: short stacking energy: -42.326
Base-Backbone interact. energy: 0.876
local terms energy: -66.542695
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -8.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -102.102660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.102660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.102660 (E_RNA)
where:
Base-Base interactions energy: -42.552
where: short stacking energy: -27.176
Base-Backbone interact. energy: -0.530
local terms energy: -59.020749
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -302.170837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.170837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.170837 (E_RNA)
where:
Base-Base interactions energy: -199.997
where: short stacking energy: -90.303
Base-Backbone interact. energy: -0.524
local terms energy: -101.649022
where:
bonds (distance) C4'-P energy: -19.227
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: -24.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -271.378342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.378342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.378342 (E_RNA)
where:
Base-Base interactions energy: -171.490
where: short stacking energy: -93.717
Base-Backbone interact. energy: -0.920
local terms energy: -98.968766
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -24.893
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -20.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -269.368931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.368931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.368931 (E_RNA)
where:
Base-Base interactions energy: -172.235
where: short stacking energy: -73.370
Base-Backbone interact. energy: -1.788
local terms energy: -95.345672
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -20.858
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: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -214.396991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.396991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.396991 (E_RNA)
where:
Base-Base interactions energy: -120.285
where: short stacking energy: -72.722
Base-Backbone interact. energy: -0.033
local terms energy: -94.078518
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -17.215
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -223.452847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.452847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.452847 (E_RNA)
where:
Base-Base interactions energy: -129.454
where: short stacking energy: -68.165
Base-Backbone interact. energy: -0.129
local terms energy: -93.869944
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -15.741
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: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -136.326670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.326670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.326670 (E_RNA)
where:
Base-Base interactions energy: -53.810
where: short stacking energy: -47.170
Base-Backbone interact. energy: -0.157
local terms energy: -82.359472
where:
bonds (distance) C4'-P energy: -19.694
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -9.286
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: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -156.925790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.925790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.925790 (E_RNA)
where:
Base-Base interactions energy: -85.941
where: short stacking energy: -56.195
Base-Backbone interact. energy: -0.957
local terms energy: -70.027754
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -10.127
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: 8, replica: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -107.699410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.699410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.699410 (E_RNA)
where:
Base-Base interactions energy: -43.992
where: short stacking energy: -39.907
Base-Backbone interact. energy: -0.362
local terms energy: -63.344946
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: 2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -116.877925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.877925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.877925 (E_RNA)
where:
Base-Base interactions energy: -44.313
where: short stacking energy: -41.738
Base-Backbone interact. energy: 1.589
local terms energy: -74.153976
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -8.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -104.003983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.003983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.003983 (E_RNA)
where:
Base-Base interactions energy: -43.288
where: short stacking energy: -34.718
Base-Backbone interact. energy: -0.067
local terms energy: -60.648833
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -3.351
tors. eta vs tors. theta energy: -1.091
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -306.404920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.404920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.404920 (E_RNA)
where:
Base-Base interactions energy: -206.507
where: short stacking energy: -95.473
Base-Backbone interact. energy: 0.104
local terms energy: -100.001154
where:
bonds (distance) C4'-P energy: -22.617
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -26.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -260.957323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.957323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.957323 (E_RNA)
where:
Base-Base interactions energy: -165.222
where: short stacking energy: -87.459
Base-Backbone interact. energy: 1.361
local terms energy: -97.096384
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -20.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -267.123287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.123287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.123287 (E_RNA)
where:
Base-Base interactions energy: -169.915
where: short stacking energy: -91.053
Base-Backbone interact. energy: 1.105
local terms energy: -98.314074
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -24.621
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: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -212.273059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.273059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.273059 (E_RNA)
where:
Base-Base interactions energy: -126.378
where: short stacking energy: -78.034
Base-Backbone interact. energy: -0.488
local terms energy: -85.407118
where:
bonds (distance) C4'-P energy: -20.371
bonds (distance) P-C4' energy: -23.998
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -133.429611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.429611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.429611 (E_RNA)
where:
Base-Base interactions energy: -58.050
where: short stacking energy: -46.499
Base-Backbone interact. energy: -0.756
local terms energy: -74.623806
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -22.154
flat angles P-C4'-P energy: -12.058
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: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -191.031136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.031136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.031136 (E_RNA)
where:
Base-Base interactions energy: -111.827
where: short stacking energy: -55.813
Base-Backbone interact. energy: -1.746
local terms energy: -77.458149
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -23.432
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -13.568
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: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -118.895465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.895465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.895465 (E_RNA)
where:
Base-Base interactions energy: -58.058
where: short stacking energy: -54.312
Base-Backbone interact. energy: -1.505
local terms energy: -59.332803
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -6.973
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -4.649
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: 120
Temperature: 1.250000
Total energy: -122.038591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.038591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.038591 (E_RNA)
where:
Base-Base interactions energy: -59.194
where: short stacking energy: -47.728
Base-Backbone interact. energy: -0.303
local terms energy: -62.541697
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -111.743827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.743827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.743827 (E_RNA)
where:
Base-Base interactions energy: -43.172
where: short stacking energy: -43.172
Base-Backbone interact. energy: -0.153
local terms energy: -68.418312
where:
bonds (distance) C4'-P energy: -20.272
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -3.634
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: 120
Temperature: 1.350000
Total energy: -105.982740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.982740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.982740 (E_RNA)
where:
Base-Base interactions energy: -43.826
where: short stacking energy: -36.496
Base-Backbone interact. energy: -0.467
local terms energy: -61.690147
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: 2.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -299.816950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.816950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.816950 (E_RNA)
where:
Base-Base interactions energy: -194.531
where: short stacking energy: -83.015
Base-Backbone interact. energy: -0.770
local terms energy: -104.515637
where:
bonds (distance) C4'-P energy: -23.251
bonds (distance) P-C4' energy: -22.865
flat angles C4'-P-C4' energy: -20.926
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -24.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -269.861009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.861009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.861009 (E_RNA)
where:
Base-Base interactions energy: -173.356
where: short stacking energy: -90.976
Base-Backbone interact. energy: -0.662
local terms energy: -95.843117
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -26.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -259.841134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.841134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.841134 (E_RNA)
where:
Base-Base interactions energy: -161.173
where: short stacking energy: -83.531
Base-Backbone interact. energy: -1.541
local terms energy: -97.127474
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -23.749
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -25.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -239.269595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.269595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.269595 (E_RNA)
where:
Base-Base interactions energy: -145.748
where: short stacking energy: -85.638
Base-Backbone interact. energy: -0.658
local terms energy: -92.863542
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -22.346
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: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -180.022065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.022065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.022065 (E_RNA)
where:
Base-Base interactions energy: -97.110
where: short stacking energy: -51.770
Base-Backbone interact. energy: -0.733
local terms energy: -82.179017
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -10.253
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: 121
Temperature: 1.150000
Total energy: -194.731694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.731694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.731694 (E_RNA)
where:
Base-Base interactions energy: -108.367
where: short stacking energy: -59.660
Base-Backbone interact. energy: -0.013
local terms energy: -86.350939
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -8.416
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: 7, replica: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -118.522113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.522113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.522113 (E_RNA)
where:
Base-Base interactions energy: -49.978
where: short stacking energy: -37.904
Base-Backbone interact. energy: -0.315
local terms energy: -68.228201
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -23.461
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -8.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -101.225850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.225850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.225850 (E_RNA)
where:
Base-Base interactions energy: -37.716
where: short stacking energy: -18.113
Base-Backbone interact. energy: 0.453
local terms energy: -63.962779
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: 2.428
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: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -129.953028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.953028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.953028 (E_RNA)
where:
Base-Base interactions energy: -69.622
where: short stacking energy: -40.068
Base-Backbone interact. energy: 0.175
local terms energy: -60.506289
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -9.432
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: 3
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -93.588499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.588499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.588499 (E_RNA)
where:
Base-Base interactions energy: -31.376
where: short stacking energy: -17.821
Base-Backbone interact. energy: -0.376
local terms energy: -61.835969
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -24.315
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: 7.090
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -281.660371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.660371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.660371 (E_RNA)
where:
Base-Base interactions energy: -176.461
where: short stacking energy: -91.231
Base-Backbone interact. energy: -0.785
local terms energy: -104.413738
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: -26.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -293.093192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.093192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.093192 (E_RNA)
where:
Base-Base interactions energy: -185.198
where: short stacking energy: -89.403
Base-Backbone interact. energy: -0.088
local terms energy: -107.807600
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -23.657
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -30.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -227.298763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.298763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.298763 (E_RNA)
where:
Base-Base interactions energy: -132.406
where: short stacking energy: -87.669
Base-Backbone interact. energy: -0.112
local terms energy: -94.780666
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -21.591
flat angles P-C4'-P energy: -15.335
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: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -248.534992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.534992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.534992 (E_RNA)
where:
Base-Base interactions energy: -153.208
where: short stacking energy: -81.646
Base-Backbone interact. energy: 1.954
local terms energy: -97.280846
where:
bonds (distance) C4'-P energy: -22.207
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -18.511
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: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -216.490520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.490520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.490520 (E_RNA)
where:
Base-Base interactions energy: -131.442
where: short stacking energy: -76.570
Base-Backbone interact. energy: -0.623
local terms energy: -84.424777
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -19.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -165.882962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.882962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.882962 (E_RNA)
where:
Base-Base interactions energy: -101.018
where: short stacking energy: -48.444
Base-Backbone interact. energy: -0.603
local terms energy: -64.262261
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -8.634
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: 7, replica: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -163.427468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.427468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.427468 (E_RNA)
where:
Base-Base interactions energy: -92.289
where: short stacking energy: -52.394
Base-Backbone interact. energy: -2.225
local terms energy: -68.912908
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -110.470217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.470217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.470217 (E_RNA)
where:
Base-Base interactions energy: -43.727
where: short stacking energy: -37.406
Base-Backbone interact. energy: 0.392
local terms energy: -67.135871
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -9.957
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -7.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -101.925598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.925598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.925598 (E_RNA)
where:
Base-Base interactions energy: -41.713
where: short stacking energy: -37.658
Base-Backbone interact. energy: 3.506
local terms energy: -63.718928
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -103.330265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.330265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.330265 (E_RNA)
where:
Base-Base interactions energy: -41.540
where: short stacking energy: -32.995
Base-Backbone interact. energy: 2.052
local terms energy: -63.842184
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -284.344422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.344422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.344422 (E_RNA)
where:
Base-Base interactions energy: -178.422
where: short stacking energy: -95.251
Base-Backbone interact. energy: -0.621
local terms energy: -105.302288
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -21.322
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -26.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -298.258098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.258098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.258098 (E_RNA)
where:
Base-Base interactions energy: -187.892
where: short stacking energy: -89.861
Base-Backbone interact. energy: -0.602
local terms energy: -109.764729
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -22.838
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -26.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -231.145193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.145193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.145193 (E_RNA)
where:
Base-Base interactions energy: -131.615
where: short stacking energy: -83.525
Base-Backbone interact. energy: -0.137
local terms energy: -99.393876
where:
bonds (distance) C4'-P energy: -23.936
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -23.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -254.318176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.318176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.318176 (E_RNA)
where:
Base-Base interactions energy: -164.886
where: short stacking energy: -93.676
Base-Backbone interact. energy: -0.784
local terms energy: -88.648290
where:
bonds (distance) C4'-P energy: -21.975
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -192.412598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.412598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.412598 (E_RNA)
where:
Base-Base interactions energy: -118.790
where: short stacking energy: -53.628
Base-Backbone interact. energy: -0.371
local terms energy: -73.251898
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -10.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -141.139459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.139459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.139459 (E_RNA)
where:
Base-Base interactions energy: -60.227
where: short stacking energy: -49.571
Base-Backbone interact. energy: -0.267
local terms energy: -80.645831
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -12.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -121.419638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.419638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.419638 (E_RNA)
where:
Base-Base interactions energy: -41.787
where: short stacking energy: -41.787
Base-Backbone interact. energy: -0.036
local terms energy: -79.596598
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -7.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -109.628083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.628083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.628083 (E_RNA)
where:
Base-Base interactions energy: -48.577
where: short stacking energy: -34.928
Base-Backbone interact. energy: 2.266
local terms energy: -63.317266
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -103.839595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.839595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.839595 (E_RNA)
where:
Base-Base interactions energy: -32.432
where: short stacking energy: -32.432
Base-Backbone interact. energy: 0.219
local terms energy: -71.626208
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -7.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -109.840818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.840818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.840818 (E_RNA)
where:
Base-Base interactions energy: -47.106
where: short stacking energy: -31.370
Base-Backbone interact. energy: -0.286
local terms energy: -62.448201
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -23.905
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -287.552037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.552037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.552037 (E_RNA)
where:
Base-Base interactions energy: -185.907
where: short stacking energy: -82.326
Base-Backbone interact. energy: -0.430
local terms energy: -101.215683
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -285.527119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.527119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.527119 (E_RNA)
where:
Base-Base interactions energy: -180.823
where: short stacking energy: -96.461
Base-Backbone interact. energy: -0.120
local terms energy: -104.584030
where:
bonds (distance) C4'-P energy: -23.958
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -26.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -252.290429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.290429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.290429 (E_RNA)
where:
Base-Base interactions energy: -156.407
where: short stacking energy: -76.127
Base-Backbone interact. energy: -0.223
local terms energy: -95.660384
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -17.350
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -221.129687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.129687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.129687 (E_RNA)
where:
Base-Base interactions energy: -138.212
where: short stacking energy: -74.207
Base-Backbone interact. energy: -1.622
local terms energy: -81.295174
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -177.933692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.933692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.933692 (E_RNA)
where:
Base-Base interactions energy: -99.273
where: short stacking energy: -58.779
Base-Backbone interact. energy: -0.215
local terms energy: -78.446119
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -13.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -130.751288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.751288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.751288 (E_RNA)
where:
Base-Base interactions energy: -65.597
where: short stacking energy: -35.731
Base-Backbone interact. energy: -0.319
local terms energy: -64.834613
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -4.251
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: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -116.630518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.630518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.630518 (E_RNA)
where:
Base-Base interactions energy: -48.323
where: short stacking energy: -46.206
Base-Backbone interact. energy: -0.437
local terms energy: -67.870337
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -108.210842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.210842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.210842 (E_RNA)
where:
Base-Base interactions energy: -37.248
where: short stacking energy: -36.960
Base-Backbone interact. energy: -0.404
local terms energy: -70.559047
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -21.538
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -2.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -110.833011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.833011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.833011 (E_RNA)
where:
Base-Base interactions energy: -50.741
where: short stacking energy: -37.564
Base-Backbone interact. energy: 0.519
local terms energy: -60.610463
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -5.880
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: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -96.752968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.752968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.752968 (E_RNA)
where:
Base-Base interactions energy: -46.805
where: short stacking energy: -34.665
Base-Backbone interact. energy: -0.121
local terms energy: -49.826808
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: 2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -278.768809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.768809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.768809 (E_RNA)
where:
Base-Base interactions energy: -185.163
where: short stacking energy: -87.495
Base-Backbone interact. energy: 0.114
local terms energy: -93.719935
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -19.989
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: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -277.091691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.091691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.091691 (E_RNA)
where:
Base-Base interactions energy: -174.693
where: short stacking energy: -90.332
Base-Backbone interact. energy: -0.039
local terms energy: -102.359181
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -25.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -249.854016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.854016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.854016 (E_RNA)
where:
Base-Base interactions energy: -158.727
where: short stacking energy: -84.680
Base-Backbone interact. energy: -0.041
local terms energy: -91.085643
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -24.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -212.375932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.375932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.375932 (E_RNA)
where:
Base-Base interactions energy: -127.703
where: short stacking energy: -75.042
Base-Backbone interact. energy: -1.157
local terms energy: -83.515928
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -17.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -165.515457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.515457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.515457 (E_RNA)
where:
Base-Base interactions energy: -98.928
where: short stacking energy: -49.010
Base-Backbone interact. energy: -1.908
local terms energy: -64.679624
where:
bonds (distance) C4'-P energy: -23.321
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -185.129236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.129236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.129236 (E_RNA)
where:
Base-Base interactions energy: -99.480
where: short stacking energy: -68.443
Base-Backbone interact. energy: -0.210
local terms energy: -85.439130
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -16.544
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -121.794938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.794938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.794938 (E_RNA)
where:
Base-Base interactions energy: -54.000
where: short stacking energy: -30.962
Base-Backbone interact. energy: -0.218
local terms energy: -67.576722
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -23.569
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -142.549191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.549191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.549191 (E_RNA)
where:
Base-Base interactions energy: -78.668
where: short stacking energy: -52.662
Base-Backbone interact. energy: -0.055
local terms energy: -63.825634
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -102.173491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.173491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.173491 (E_RNA)
where:
Base-Base interactions energy: -36.645
where: short stacking energy: -36.077
Base-Backbone interact. energy: -0.828
local terms energy: -64.701144
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -14.998
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: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -99.108052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.108052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.108052 (E_RNA)
where:
Base-Base interactions energy: -36.093
where: short stacking energy: -35.179
Base-Backbone interact. energy: -0.153
local terms energy: -62.861854
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -296.653566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.653566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.653566 (E_RNA)
where:
Base-Base interactions energy: -207.028
where: short stacking energy: -93.002
Base-Backbone interact. energy: -0.688
local terms energy: -88.937621
where:
bonds (distance) C4'-P energy: -20.728
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -21.759
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: 2, replica: 5
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -279.713270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.713270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.713270 (E_RNA)
where:
Base-Base interactions energy: -165.162
where: short stacking energy: -88.156
Base-Backbone interact. energy: -1.338
local terms energy: -113.213517
where:
bonds (distance) C4'-P energy: -22.178
bonds (distance) P-C4' energy: -23.248
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: -27.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -252.239583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.239583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.239583 (E_RNA)
where:
Base-Base interactions energy: -153.706
where: short stacking energy: -76.339
Base-Backbone interact. energy: -0.560
local terms energy: -97.973197
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -16.231
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -224.837811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.837811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.837811 (E_RNA)
where:
Base-Base interactions energy: -139.981
where: short stacking energy: -78.826
Base-Backbone interact. energy: -0.795
local terms energy: -84.061964
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -20.561
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: 126
Temperature: 1.100000
Total energy: -194.739706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.739706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.739706 (E_RNA)
where:
Base-Base interactions energy: -119.233
where: short stacking energy: -70.161
Base-Backbone interact. energy: 1.755
local terms energy: -77.261003
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -149.373819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.373819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.373819 (E_RNA)
where:
Base-Base interactions energy: -75.873
where: short stacking energy: -36.805
Base-Backbone interact. energy: -0.414
local terms energy: -73.087022
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -22.029
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -5.106
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: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -158.074209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.074209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.074209 (E_RNA)
where:
Base-Base interactions energy: -81.347
where: short stacking energy: -61.540
Base-Backbone interact. energy: 0.695
local terms energy: -77.422759
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -11.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -125.109352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.109352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.109352 (E_RNA)
where:
Base-Base interactions energy: -48.747
where: short stacking energy: -47.034
Base-Backbone interact. energy: -0.031
local terms energy: -76.331379
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -9.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -123.499710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.499710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.499710 (E_RNA)
where:
Base-Base interactions energy: -58.784
where: short stacking energy: -49.667
Base-Backbone interact. energy: -0.144
local terms energy: -64.571247
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -7.721
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: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -119.280606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.280606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.280606 (E_RNA)
where:
Base-Base interactions energy: -41.231
where: short stacking energy: -31.311
Base-Backbone interact. energy: -0.497
local terms energy: -77.552334
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -4.966
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -292.653790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.653790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.653790 (E_RNA)
where:
Base-Base interactions energy: -193.510
where: short stacking energy: -87.113
Base-Backbone interact. energy: -0.057
local terms energy: -99.087001
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -24.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -266.501852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.501852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.501852 (E_RNA)
where:
Base-Base interactions energy: -164.687
where: short stacking energy: -88.150
Base-Backbone interact. energy: -3.081
local terms energy: -98.733744
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -15.554
tors. eta vs tors. theta energy: -18.094
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: 127
Temperature: 1.000000
Total energy: -263.090315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.090315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.090315 (E_RNA)
where:
Base-Base interactions energy: -164.290
where: short stacking energy: -82.428
Base-Backbone interact. energy: -1.777
local terms energy: -97.023774
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -25.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -219.540782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.540782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.540782 (E_RNA)
where:
Base-Base interactions energy: -127.651
where: short stacking energy: -77.825
Base-Backbone interact. energy: 0.086
local terms energy: -91.975179
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -20.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -180.015710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.015710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.015710 (E_RNA)
where:
Base-Base interactions energy: -98.648
where: short stacking energy: -70.314
Base-Backbone interact. energy: -0.127
local terms energy: -81.241052
where:
bonds (distance) C4'-P energy: -21.826
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -15.260
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: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -123.315431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.315431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.315431 (E_RNA)
where:
Base-Base interactions energy: -61.893
where: short stacking energy: -49.373
Base-Backbone interact. energy: -0.207
local terms energy: -61.215918
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -114.228563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.228563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.228563 (E_RNA)
where:
Base-Base interactions energy: -35.834
where: short stacking energy: -35.834
Base-Backbone interact. energy: -0.973
local terms energy: -77.421483
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -113.097411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.097411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.097411 (E_RNA)
where:
Base-Base interactions energy: -59.470
where: short stacking energy: -38.380
Base-Backbone interact. energy: -0.723
local terms energy: -52.904259
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -101.171007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.171007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.171007 (E_RNA)
where:
Base-Base interactions energy: -35.052
where: short stacking energy: -33.942
Base-Backbone interact. energy: -0.131
local terms energy: -65.988239
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -20.319
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -6.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -106.370311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.370311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.370311 (E_RNA)
where:
Base-Base interactions energy: -42.607
where: short stacking energy: -29.875
Base-Backbone interact. energy: -0.232
local terms energy: -63.530855
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -303.213625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.213625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.213625 (E_RNA)
where:
Base-Base interactions energy: -194.811
where: short stacking energy: -96.866
Base-Backbone interact. energy: -0.690
local terms energy: -107.712371
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -22.482
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -30.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -275.709142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.709142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.709142 (E_RNA)
where:
Base-Base interactions energy: -178.113
where: short stacking energy: -96.124
Base-Backbone interact. energy: -0.511
local terms energy: -97.084367
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -21.286
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -21.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -259.670408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.670408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.670408 (E_RNA)
where:
Base-Base interactions energy: -166.423
where: short stacking energy: -77.963
Base-Backbone interact. energy: -0.852
local terms energy: -92.394684
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -21.434
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -18.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -218.908714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.908714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.908714 (E_RNA)
where:
Base-Base interactions energy: -123.617
where: short stacking energy: -73.305
Base-Backbone interact. energy: 0.070
local terms energy: -95.361838
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -19.726
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: 128
Temperature: 1.100000
Total energy: -197.401849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.401849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.401849 (E_RNA)
where:
Base-Base interactions energy: -112.086
where: short stacking energy: -70.763
Base-Backbone interact. energy: -0.368
local terms energy: -84.947648
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -18.123
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: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -155.729268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.729268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.729268 (E_RNA)
where:
Base-Base interactions energy: -92.323
where: short stacking energy: -56.765
Base-Backbone interact. energy: -0.425
local terms energy: -62.981726
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: 0.979
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: 7, replica: 8
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -116.648600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.648600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.648600 (E_RNA)
where:
Base-Base interactions energy: -44.652
where: short stacking energy: -43.186
Base-Backbone interact. energy: 0.469
local terms energy: -72.466404
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -14.491
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: 8, replica: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -136.749079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.749079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.749079 (E_RNA)
where:
Base-Base interactions energy: -63.109
where: short stacking energy: -30.002
Base-Backbone interact. energy: -0.117
local terms energy: -73.523680
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -9.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -112.231980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.231980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.231980 (E_RNA)
where:
Base-Base interactions energy: -37.590
where: short stacking energy: -34.697
Base-Backbone interact. energy: -0.226
local terms energy: -74.416365
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -90.470713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.470713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.470713 (E_RNA)
where:
Base-Base interactions energy: -27.128
where: short stacking energy: -18.401
Base-Backbone interact. energy: 1.404
local terms energy: -64.747019
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: 1.182
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -301.252955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.252955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.252955 (E_RNA)
where:
Base-Base interactions energy: -197.740
where: short stacking energy: -102.418
Base-Backbone interact. energy: 0.471
local terms energy: -103.983965
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -18.853
tors. eta vs tors. theta energy: -28.805
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: 129
Temperature: 0.950000
Total energy: -274.234650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.234650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.234650 (E_RNA)
where:
Base-Base interactions energy: -171.871
where: short stacking energy: -86.845
Base-Backbone interact. energy: -2.123
local terms energy: -100.240916
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -24.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -265.610947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.610947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.610947 (E_RNA)
where:
Base-Base interactions energy: -173.487
where: short stacking energy: -92.081
Base-Backbone interact. energy: -0.130
local terms energy: -91.993938
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -23.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -221.076898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.076898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.076898 (E_RNA)
where:
Base-Base interactions energy: -133.637
where: short stacking energy: -70.235
Base-Backbone interact. energy: -0.424
local terms energy: -87.016650
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -14.117
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: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -222.468077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.468077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.468077 (E_RNA)
where:
Base-Base interactions energy: -145.019
where: short stacking energy: -73.375
Base-Backbone interact. energy: -0.282
local terms energy: -77.167133
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -14.074
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: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -171.161745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.161745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.161745 (E_RNA)
where:
Base-Base interactions energy: -93.022
where: short stacking energy: -56.692
Base-Backbone interact. energy: -0.265
local terms energy: -77.875075
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -127.967053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.967053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.967053 (E_RNA)
where:
Base-Base interactions energy: -47.005
where: short stacking energy: -39.052
Base-Backbone interact. energy: 1.934
local terms energy: -82.896368
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -21.315
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -9.543
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: 3
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -132.783462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.783462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.783462 (E_RNA)
where:
Base-Base interactions energy: -61.411
where: short stacking energy: -50.314
Base-Backbone interact. energy: -0.020
local terms energy: -71.352513
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -14.324
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: 9, replica: 4
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -107.226190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.226190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.226190 (E_RNA)
where:
Base-Base interactions energy: -50.783
where: short stacking energy: -45.295
Base-Backbone interact. energy: 0.370
local terms energy: -56.813261
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -95.253346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.253346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.253346 (E_RNA)
where:
Base-Base interactions energy: -32.547
where: short stacking energy: -32.357
Base-Backbone interact. energy: -0.194
local terms energy: -62.511720
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -302.237435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.237435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.237435 (E_RNA)
where:
Base-Base interactions energy: -192.079
where: short stacking energy: -101.328
Base-Backbone interact. energy: -0.106
local terms energy: -110.052164
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -23.418
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -29.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -260.172896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.172896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.172896 (E_RNA)
where:
Base-Base interactions energy: -162.670
where: short stacking energy: -83.479
Base-Backbone interact. energy: -1.081
local terms energy: -96.421710
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -16.983
tors. eta vs tors. theta energy: -23.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -274.883198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.883198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.883198 (E_RNA)
where:
Base-Base interactions energy: -169.862
where: short stacking energy: -94.324
Base-Backbone interact. energy: -0.871
local terms energy: -104.150011
where:
bonds (distance) C4'-P energy: -22.182
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: -22.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -253.805129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.805129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.805129 (E_RNA)
where:
Base-Base interactions energy: -161.061
where: short stacking energy: -88.968
Base-Backbone interact. energy: -0.051
local terms energy: -92.693076
where:
bonds (distance) C4'-P energy: -22.410
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -22.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -194.318003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.318003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.318003 (E_RNA)
where:
Base-Base interactions energy: -109.883
where: short stacking energy: -63.109
Base-Backbone interact. energy: 0.356
local terms energy: -84.791164
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -14.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -215.272081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.272081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.272081 (E_RNA)
where:
Base-Base interactions energy: -136.088
where: short stacking energy: -65.200
Base-Backbone interact. energy: 1.388
local terms energy: -80.572103
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -13.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -126.445892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.445892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.445892 (E_RNA)
where:
Base-Base interactions energy: -57.046
where: short stacking energy: -46.810
Base-Backbone interact. energy: 0.101
local terms energy: -69.500953
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -20.071
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -7.741
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: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -102.837931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.837931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.837931 (E_RNA)
where:
Base-Base interactions energy: -39.735
where: short stacking energy: -39.069
Base-Backbone interact. energy: -0.433
local terms energy: -62.669906
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -4.267
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: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -101.193758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.193758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.193758 (E_RNA)
where:
Base-Base interactions energy: -40.869
where: short stacking energy: -33.424
Base-Backbone interact. energy: 1.446
local terms energy: -61.770174
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: 1.585
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: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -104.874794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.874794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.874794 (E_RNA)
where:
Base-Base interactions energy: -49.436
where: short stacking energy: -29.126
Base-Backbone interact. energy: -0.258
local terms energy: -55.180909
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: 2.572
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -300.369836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.369836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.369836 (E_RNA)
where:
Base-Base interactions energy: -189.900
where: short stacking energy: -99.388
Base-Backbone interact. energy: -0.178
local terms energy: -110.292252
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -23.645
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -29.870
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: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -274.238904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.238904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.238904 (E_RNA)
where:
Base-Base interactions energy: -172.789
where: short stacking energy: -77.544
Base-Backbone interact. energy: 0.283
local terms energy: -101.732618
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -22.605
flat angles P-C4'-P energy: -15.158
tors. eta vs tors. theta energy: -21.183
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: 131
Temperature: 1.000000
Total energy: -272.507397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.507397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.507397 (E_RNA)
where:
Base-Base interactions energy: -173.561
where: short stacking energy: -82.364
Base-Backbone interact. energy: -0.160
local terms energy: -98.786667
where:
bonds (distance) C4'-P energy: -23.027
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -20.926
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -254.980538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.980538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.980538 (E_RNA)
where:
Base-Base interactions energy: -164.709
where: short stacking energy: -91.043
Base-Backbone interact. energy: -0.035
local terms energy: -90.236798
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -9.444
flat angles C4'-P-C4' energy: -20.924
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -25.402
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: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -200.149192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.149192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.149192 (E_RNA)
where:
Base-Base interactions energy: -113.248
where: short stacking energy: -52.669
Base-Backbone interact. energy: -0.079
local terms energy: -86.821722
where:
bonds (distance) C4'-P energy: -20.232
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -14.538
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: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -244.464621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.464621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.464621 (E_RNA)
where:
Base-Base interactions energy: -154.483
where: short stacking energy: -72.631
Base-Backbone interact. energy: -0.664
local terms energy: -89.317316
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -22.883
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -142.030693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.030693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.030693 (E_RNA)
where:
Base-Base interactions energy: -70.035
where: short stacking energy: -47.277
Base-Backbone interact. energy: 0.698
local terms energy: -72.693825
where:
bonds (distance) C4'-P energy: -20.204
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -5.390
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: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -137.136403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.136403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.136403 (E_RNA)
where:
Base-Base interactions energy: -65.881
where: short stacking energy: -35.272
Base-Backbone interact. energy: -0.359
local terms energy: -70.896805
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -110.819397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.819397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.819397 (E_RNA)
where:
Base-Base interactions energy: -41.688
where: short stacking energy: -41.688
Base-Backbone interact. energy: -0.388
local terms energy: -68.743299
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -88.202089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.202089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.202089 (E_RNA)
where:
Base-Base interactions energy: -30.691
where: short stacking energy: -30.555
Base-Backbone interact. energy: -0.341
local terms energy: -57.170668
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -0.807
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -298.058840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.058840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.058840 (E_RNA)
where:
Base-Base interactions energy: -204.033
where: short stacking energy: -99.738
Base-Backbone interact. energy: -0.263
local terms energy: -93.762373
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -25.230
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: 132
Temperature: 0.950000
Total energy: -270.196530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.196530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.196530 (E_RNA)
where:
Base-Base interactions energy: -174.268
where: short stacking energy: -83.433
Base-Backbone interact. energy: -0.177
local terms energy: -95.751488
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -20.708
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -265.774393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.774393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.774393 (E_RNA)
where:
Base-Base interactions energy: -163.966
where: short stacking energy: -89.388
Base-Backbone interact. energy: -0.024
local terms energy: -101.783910
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -25.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -264.479851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.479851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.479851 (E_RNA)
where:
Base-Base interactions energy: -170.311
where: short stacking energy: -88.176
Base-Backbone interact. energy: -0.222
local terms energy: -93.946119
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -21.968
flat angles P-C4'-P energy: -10.292
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: 5, replica: 7
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -232.566784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.566784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.566784 (E_RNA)
where:
Base-Base interactions energy: -154.638
where: short stacking energy: -77.742
Base-Backbone interact. energy: -0.156
local terms energy: -77.772695
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -7.916
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -206.210385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.210385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.210385 (E_RNA)
where:
Base-Base interactions energy: -123.458
where: short stacking energy: -72.836
Base-Backbone interact. energy: -0.062
local terms energy: -82.689995
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -6.300
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: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -154.347655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.347655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.347655 (E_RNA)
where:
Base-Base interactions energy: -73.771
where: short stacking energy: -51.488
Base-Backbone interact. energy: -1.024
local terms energy: -79.552639
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -10.770
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: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -121.617441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.617441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.617441 (E_RNA)
where:
Base-Base interactions energy: -48.238
where: short stacking energy: -31.521
Base-Backbone interact. energy: -0.820
local terms energy: -72.559489
where:
bonds (distance) C4'-P energy: -18.162
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -105.042889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.042889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.042889 (E_RNA)
where:
Base-Base interactions energy: -39.980
where: short stacking energy: -39.980
Base-Backbone interact. energy: -0.215
local terms energy: -64.847382
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -18.159
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -12.910
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: 10, replica: 4
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -120.962846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.962846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.962846 (E_RNA)
where:
Base-Base interactions energy: -54.692
where: short stacking energy: -52.709
Base-Backbone interact. energy: -0.215
local terms energy: -66.056300
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -291.463527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.463527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.463527 (E_RNA)
where:
Base-Base interactions energy: -196.426
where: short stacking energy: -94.043
Base-Backbone interact. energy: -0.320
local terms energy: -94.717278
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -23.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -263.567360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.567360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.567360 (E_RNA)
where:
Base-Base interactions energy: -168.022
where: short stacking energy: -88.658
Base-Backbone interact. energy: -0.230
local terms energy: -95.315560
where:
bonds (distance) C4'-P energy: -19.616
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -27.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -265.769001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.769001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.769001 (E_RNA)
where:
Base-Base interactions energy: -173.546
where: short stacking energy: -84.275
Base-Backbone interact. energy: -1.363
local terms energy: -90.859492
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -16.673
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: 133
Temperature: 1.050000
Total energy: -270.458317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.458317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.458317 (E_RNA)
where:
Base-Base interactions energy: -170.882
where: short stacking energy: -86.147
Base-Backbone interact. energy: -0.045
local terms energy: -99.531270
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -22.596
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -25.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -252.432152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.432152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.432152 (E_RNA)
where:
Base-Base interactions energy: -169.331
where: short stacking energy: -82.261
Base-Backbone interact. energy: 0.039
local terms energy: -83.140053
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -15.611
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: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -184.555563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.555563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.555563 (E_RNA)
where:
Base-Base interactions energy: -107.049
where: short stacking energy: -61.787
Base-Backbone interact. energy: -0.886
local terms energy: -76.620542
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -19.684
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -11.567
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: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -114.730608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.730608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.730608 (E_RNA)
where:
Base-Base interactions energy: -42.693
where: short stacking energy: -38.885
Base-Backbone interact. energy: 1.222
local terms energy: -73.260382
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -113.623414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.623414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.623414 (E_RNA)
where:
Base-Base interactions energy: -44.677
where: short stacking energy: -42.844
Base-Backbone interact. energy: -0.356
local terms energy: -68.590638
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -123.874997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.874997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.874997 (E_RNA)
where:
Base-Base interactions energy: -56.881
where: short stacking energy: -48.203
Base-Backbone interact. energy: -0.394
local terms energy: -66.599821
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -3.157
tors. eta vs tors. theta energy: -8.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -94.018756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.018756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.018756 (E_RNA)
where:
Base-Base interactions energy: -33.150
where: short stacking energy: -33.150
Base-Backbone interact. energy: 2.399
local terms energy: -63.268223
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: 0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -263.671427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.671427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.671427 (E_RNA)
where:
Base-Base interactions energy: -163.292
where: short stacking energy: -90.301
Base-Backbone interact. energy: -0.002
local terms energy: -100.377488
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -25.428
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: 9
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -302.428690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.428690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.428690 (E_RNA)
where:
Base-Base interactions energy: -202.246
where: short stacking energy: -97.758
Base-Backbone interact. energy: -0.073
local terms energy: -100.109585
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -28.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -282.524081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.524081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.524081 (E_RNA)
where:
Base-Base interactions energy: -178.249
where: short stacking energy: -86.161
Base-Backbone interact. energy: -0.324
local terms energy: -103.950563
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -17.603
tors. eta vs tors. theta energy: -23.975
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: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -267.702914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.702914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.702914 (E_RNA)
where:
Base-Base interactions energy: -173.164
where: short stacking energy: -82.232
Base-Backbone interact. energy: -1.061
local terms energy: -93.477487
where:
bonds (distance) C4'-P energy: -20.511
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -21.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -241.805635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.805635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.805635 (E_RNA)
where:
Base-Base interactions energy: -147.588
where: short stacking energy: -71.504
Base-Backbone interact. energy: -0.098
local terms energy: -94.120249
where:
bonds (distance) C4'-P energy: -20.732
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -13.687
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: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -195.755381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.755381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.755381 (E_RNA)
where:
Base-Base interactions energy: -116.232
where: short stacking energy: -60.119
Base-Backbone interact. energy: -0.062
local terms energy: -79.461405
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -9.291
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: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -127.587518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.587518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.587518 (E_RNA)
where:
Base-Base interactions energy: -58.120
where: short stacking energy: -49.686
Base-Backbone interact. energy: 0.360
local terms energy: -69.827768
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -12.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -133.065228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.065228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.065228 (E_RNA)
where:
Base-Base interactions energy: -69.916
where: short stacking energy: -37.165
Base-Backbone interact. energy: -1.226
local terms energy: -61.922608
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -0.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -102.435429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.435429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.435429 (E_RNA)
where:
Base-Base interactions energy: -44.328
where: short stacking energy: -34.960
Base-Backbone interact. energy: -0.234
local terms energy: -57.873409
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -99.482080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.482080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.482080 (E_RNA)
where:
Base-Base interactions energy: -31.295
where: short stacking energy: -27.933
Base-Backbone interact. energy: -0.559
local terms energy: -67.627762
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -266.494051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.494051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.494051 (E_RNA)
where:
Base-Base interactions energy: -175.298
where: short stacking energy: -90.507
Base-Backbone interact. energy: -0.519
local terms energy: -90.676980
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -23.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -279.474675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.474675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.474675 (E_RNA)
where:
Base-Base interactions energy: -179.222
where: short stacking energy: -85.553
Base-Backbone interact. energy: -0.325
local terms energy: -99.928236
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -23.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -252.844055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.844055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.844055 (E_RNA)
where:
Base-Base interactions energy: -158.226
where: short stacking energy: -82.413
Base-Backbone interact. energy: -0.746
local terms energy: -93.871700
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -19.071
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -24.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -239.088892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.088892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.088892 (E_RNA)
where:
Base-Base interactions energy: -148.063
where: short stacking energy: -68.410
Base-Backbone interact. energy: 0.807
local terms energy: -91.832406
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -19.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -255.427464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.427464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.427464 (E_RNA)
where:
Base-Base interactions energy: -159.263
where: short stacking energy: -83.437
Base-Backbone interact. energy: -0.946
local terms energy: -95.217930
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -191.841467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.841467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.841467 (E_RNA)
where:
Base-Base interactions energy: -117.831
where: short stacking energy: -57.131
Base-Backbone interact. energy: -0.423
local terms energy: -73.587407
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -12.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -116.129131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.129131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.129131 (E_RNA)
where:
Base-Base interactions energy: -45.960
where: short stacking energy: -43.607
Base-Backbone interact. energy: -0.327
local terms energy: -69.841642
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -8.475
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: 135
Temperature: 1.250000
Total energy: -128.809621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.809621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.809621 (E_RNA)
where:
Base-Base interactions energy: -57.825
where: short stacking energy: -49.762
Base-Backbone interact. energy: -0.827
local terms energy: -70.157270
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -19.140
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -5.639
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: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -102.288287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.288287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.288287 (E_RNA)
where:
Base-Base interactions energy: -38.771
where: short stacking energy: -28.370
Base-Backbone interact. energy: 1.945
local terms energy: -65.462164
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: 4.280
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: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -101.957797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.957797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.957797 (E_RNA)
where:
Base-Base interactions energy: -47.363
where: short stacking energy: -29.568
Base-Backbone interact. energy: -0.751
local terms energy: -53.843506
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -2.666
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -301.641512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.641512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.641512 (E_RNA)
where:
Base-Base interactions energy: -193.285
where: short stacking energy: -100.250
Base-Backbone interact. energy: -0.199
local terms energy: -108.157649
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -18.844
tors. eta vs tors. theta energy: -25.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -270.997849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.997849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.997849 (E_RNA)
where:
Base-Base interactions energy: -176.999
where: short stacking energy: -87.077
Base-Backbone interact. energy: -0.951
local terms energy: -93.047499
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -20.584
flat angles P-C4'-P energy: -12.506
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: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -293.988815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.988815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.988815 (E_RNA)
where:
Base-Base interactions energy: -194.635
where: short stacking energy: -85.467
Base-Backbone interact. energy: -0.208
local terms energy: -99.145836
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -23.052
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -26.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -236.894717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.894717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.894717 (E_RNA)
where:
Base-Base interactions energy: -148.953
where: short stacking energy: -79.095
Base-Backbone interact. energy: -0.348
local terms energy: -87.593642
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -16.781
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: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -237.901604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.901604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.901604 (E_RNA)
where:
Base-Base interactions energy: -161.860
where: short stacking energy: -69.976
Base-Backbone interact. energy: 1.331
local terms energy: -77.372826
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -21.537
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -11.827
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: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -183.171569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.171569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.171569 (E_RNA)
where:
Base-Base interactions energy: -111.759
where: short stacking energy: -49.363
Base-Backbone interact. energy: -0.121
local terms energy: -71.290957
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -8.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -123.512127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.512127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.512127 (E_RNA)
where:
Base-Base interactions energy: -47.056
where: short stacking energy: -45.767
Base-Backbone interact. energy: -0.273
local terms energy: -76.183229
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -11.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -123.150264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.150264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.150264 (E_RNA)
where:
Base-Base interactions energy: -57.576
where: short stacking energy: -44.781
Base-Backbone interact. energy: -0.414
local terms energy: -65.160206
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -113.319869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.319869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.319869 (E_RNA)
where:
Base-Base interactions energy: -44.240
where: short stacking energy: -41.549
Base-Backbone interact. energy: -0.731
local terms energy: -68.349035
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -98.790709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.790709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.790709 (E_RNA)
where:
Base-Base interactions energy: -34.226
where: short stacking energy: -25.080
Base-Backbone interact. energy: -1.927
local terms energy: -62.637990
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: 0.036
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -283.685059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.685059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.685059 (E_RNA)
where:
Base-Base interactions energy: -180.055
where: short stacking energy: -89.766
Base-Backbone interact. energy: -0.452
local terms energy: -103.178364
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -22.354
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -25.285
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: 9
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -286.017687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.017687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.017687 (E_RNA)
where:
Base-Base interactions energy: -189.322
where: short stacking energy: -89.359
Base-Backbone interact. energy: -0.470
local terms energy: -96.225323
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -23.568
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: 1
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -259.925082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.925082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.925082 (E_RNA)
where:
Base-Base interactions energy: -167.063
where: short stacking energy: -87.647
Base-Backbone interact. energy: -0.605
local terms energy: -92.257767
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -21.247
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: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -199.513515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.513515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.513515 (E_RNA)
where:
Base-Base interactions energy: -120.489
where: short stacking energy: -57.619
Base-Backbone interact. energy: -0.499
local terms energy: -78.525954
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -6.209
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: 5, replica: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -239.775036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.775036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.775036 (E_RNA)
where:
Base-Base interactions energy: -147.209
where: short stacking energy: -75.581
Base-Backbone interact. energy: -0.293
local terms energy: -92.273655
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -13.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -181.248219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.248219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.248219 (E_RNA)
where:
Base-Base interactions energy: -101.407
where: short stacking energy: -52.403
Base-Backbone interact. energy: 0.615
local terms energy: -80.455435
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -114.947438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.947438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.947438 (E_RNA)
where:
Base-Base interactions energy: -36.874
where: short stacking energy: -36.974
Base-Backbone interact. energy: -0.213
local terms energy: -77.859823
where:
bonds (distance) C4'-P energy: -21.205
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -129.512758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.512758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.512758 (E_RNA)
where:
Base-Base interactions energy: -52.083
where: short stacking energy: -52.083
Base-Backbone interact. energy: -0.094
local terms energy: -77.335558
where:
bonds (distance) C4'-P energy: -20.026
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -8.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -118.142635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.142635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.142635 (E_RNA)
where:
Base-Base interactions energy: -48.304
where: short stacking energy: -35.836
Base-Backbone interact. energy: -1.454
local terms energy: -68.384648
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -5.449
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: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -102.226952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.226952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.226952 (E_RNA)
where:
Base-Base interactions energy: -32.109
where: short stacking energy: -32.109
Base-Backbone interact. energy: -0.274
local terms energy: -69.843983
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -3.772
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -295.628524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.628524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.628524 (E_RNA)
where:
Base-Base interactions energy: -190.829
where: short stacking energy: -89.055
Base-Backbone interact. energy: 1.865
local terms energy: -106.664431
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -26.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -282.976371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.976371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.976371 (E_RNA)
where:
Base-Base interactions energy: -181.729
where: short stacking energy: -88.935
Base-Backbone interact. energy: -0.326
local terms energy: -100.921549
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -23.737
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -25.581
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: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -223.505389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.505389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.505389 (E_RNA)
where:
Base-Base interactions energy: -125.846
where: short stacking energy: -74.556
Base-Backbone interact. energy: -0.434
local terms energy: -97.225145
where:
bonds (distance) C4'-P energy: -19.769
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -21.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -246.572307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.572307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.572307 (E_RNA)
where:
Base-Base interactions energy: -152.836
where: short stacking energy: -79.468
Base-Backbone interact. energy: -0.877
local terms energy: -92.859811
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -20.141
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: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -201.029011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.029011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.029011 (E_RNA)
where:
Base-Base interactions energy: -122.138
where: short stacking energy: -75.047
Base-Backbone interact. energy: -0.124
local terms energy: -78.767178
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -225.153208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.153208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.153208 (E_RNA)
where:
Base-Base interactions energy: -147.017
where: short stacking energy: -67.186
Base-Backbone interact. energy: -0.328
local terms energy: -77.808755
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -17.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -127.684893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.684893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.684893 (E_RNA)
where:
Base-Base interactions energy: -55.735
where: short stacking energy: -43.867
Base-Backbone interact. energy: 0.304
local terms energy: -72.254046
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -7.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -114.724447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.724447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.724447 (E_RNA)
where:
Base-Base interactions energy: -51.909
where: short stacking energy: -51.909
Base-Backbone interact. energy: -1.366
local terms energy: -61.449502
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -104.036752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.036752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.036752 (E_RNA)
where:
Base-Base interactions energy: -50.149
where: short stacking energy: -33.700
Base-Backbone interact. energy: 1.632
local terms energy: -55.519421
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: 1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -98.607503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.607503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.607503 (E_RNA)
where:
Base-Base interactions energy: -50.725
where: short stacking energy: -27.121
Base-Backbone interact. energy: 0.794
local terms energy: -48.676361
where:
bonds (distance) C4'-P energy: -8.450
bonds (distance) P-C4' energy: -7.600
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -1.990
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -288.632299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.632299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.632299 (E_RNA)
where:
Base-Base interactions energy: -189.033
where: short stacking energy: -85.473
Base-Backbone interact. energy: -0.608
local terms energy: -98.990975
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -26.721
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: 5
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -273.593844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.593844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.593844 (E_RNA)
where:
Base-Base interactions energy: -178.716
where: short stacking energy: -81.621
Base-Backbone interact. energy: -0.482
local terms energy: -94.395923
where:
bonds (distance) C4'-P energy: -22.186
bonds (distance) P-C4' energy: -20.663
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -21.622
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: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -225.594007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.594007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.594007 (E_RNA)
where:
Base-Base interactions energy: -128.748
where: short stacking energy: -83.043
Base-Backbone interact. energy: -1.285
local terms energy: -95.560666
where:
bonds (distance) C4'-P energy: -22.203
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -21.373
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -18.038
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: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -228.679694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.679694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.679694 (E_RNA)
where:
Base-Base interactions energy: -142.875
where: short stacking energy: -63.574
Base-Backbone interact. energy: -0.841
local terms energy: -84.963771
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -19.870
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -14.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -201.151894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.151894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.151894 (E_RNA)
where:
Base-Base interactions energy: -110.911
where: short stacking energy: -70.417
Base-Backbone interact. energy: -0.060
local terms energy: -90.180726
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -15.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -230.526910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.526910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.526910 (E_RNA)
where:
Base-Base interactions energy: -149.331
where: short stacking energy: -82.909
Base-Backbone interact. energy: -1.432
local terms energy: -79.763949
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -124.492405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.492405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.492405 (E_RNA)
where:
Base-Base interactions energy: -46.900
where: short stacking energy: -37.015
Base-Backbone interact. energy: 0.205
local terms energy: -77.796604
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -8.839
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: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -113.857826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.857826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.857826 (E_RNA)
where:
Base-Base interactions energy: -46.500
where: short stacking energy: -32.493
Base-Backbone interact. energy: -0.052
local terms energy: -67.306026
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -105.672265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.672265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.672265 (E_RNA)
where:
Base-Base interactions energy: -38.183
where: short stacking energy: -36.556
Base-Backbone interact. energy: -0.100
local terms energy: -67.389797
where:
bonds (distance) C4'-P energy: -22.236
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -4.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -121.958240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.958240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.958240 (E_RNA)
where:
Base-Base interactions energy: -74.320
where: short stacking energy: -41.068
Base-Backbone interact. energy: -0.151
local terms energy: -47.486973
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -8.955
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: 1.413
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -276.111582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.111582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.111582 (E_RNA)
where:
Base-Base interactions energy: -181.106
where: short stacking energy: -87.747
Base-Backbone interact. energy: -0.628
local terms energy: -94.376753
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -23.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -288.802603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.802603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.802603 (E_RNA)
where:
Base-Base interactions energy: -190.433
where: short stacking energy: -88.692
Base-Backbone interact. energy: -0.942
local terms energy: -97.427131
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -22.501
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -26.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -265.689565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.689565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.689565 (E_RNA)
where:
Base-Base interactions energy: -173.261
where: short stacking energy: -79.988
Base-Backbone interact. energy: -0.759
local terms energy: -91.670108
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -21.065
flat angles P-C4'-P energy: -13.309
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: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -212.509762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.509762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.509762 (E_RNA)
where:
Base-Base interactions energy: -122.153
where: short stacking energy: -67.939
Base-Backbone interact. energy: -1.012
local terms energy: -89.344935
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -14.532
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: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -250.008865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.008865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.008865 (E_RNA)
where:
Base-Base interactions energy: -160.776
where: short stacking energy: -79.455
Base-Backbone interact. energy: -0.170
local terms energy: -89.063032
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -181.618670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.618670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.618670 (E_RNA)
where:
Base-Base interactions energy: -101.972
where: short stacking energy: -49.576
Base-Backbone interact. energy: -0.607
local terms energy: -79.039469
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -10.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -135.724496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.724496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.724496 (E_RNA)
where:
Base-Base interactions energy: -54.303
where: short stacking energy: -54.269
Base-Backbone interact. energy: -0.155
local terms energy: -81.266395
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -14.828
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: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -112.796635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.796635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.796635 (E_RNA)
where:
Base-Base interactions energy: -37.599
where: short stacking energy: -37.599
Base-Backbone interact. energy: -0.289
local terms energy: -74.909272
where:
bonds (distance) C4'-P energy: -21.537
bonds (distance) P-C4' energy: -19.928
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -4.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -102.679836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.679836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.679836 (E_RNA)
where:
Base-Base interactions energy: -41.808
where: short stacking energy: -39.873
Base-Backbone interact. energy: 0.844
local terms energy: -61.715494
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -8.070
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -7.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -120.198575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.198575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.198575 (E_RNA)
where:
Base-Base interactions energy: -61.077
where: short stacking energy: -41.393
Base-Backbone interact. energy: 1.159
local terms energy: -60.281451
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -4.065
tors. eta vs tors. theta energy: -5.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -282.110513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.110513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.110513 (E_RNA)
where:
Base-Base interactions energy: -186.834
where: short stacking energy: -81.678
Base-Backbone interact. energy: -0.165
local terms energy: -95.111991
where:
bonds (distance) C4'-P energy: -19.392
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -280.114524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.114524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.114524 (E_RNA)
where:
Base-Base interactions energy: -179.022
where: short stacking energy: -71.833
Base-Backbone interact. energy: -0.627
local terms energy: -100.466053
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -24.349
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -22.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -281.680256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.680256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.680256 (E_RNA)
where:
Base-Base interactions energy: -178.672
where: short stacking energy: -97.688
Base-Backbone interact. energy: -0.665
local terms energy: -102.343322
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -22.762
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -25.782
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: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -243.811249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.811249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.811249 (E_RNA)
where:
Base-Base interactions energy: -157.670
where: short stacking energy: -77.853
Base-Backbone interact. energy: -0.076
local terms energy: -86.064932
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -12.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -216.510063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.510063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.510063 (E_RNA)
where:
Base-Base interactions energy: -125.753
where: short stacking energy: -78.327
Base-Backbone interact. energy: -0.269
local terms energy: -90.487808
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -22.678
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: 6, replica: 1
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -177.350381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.350381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.350381 (E_RNA)
where:
Base-Base interactions energy: -103.076
where: short stacking energy: -46.419
Base-Backbone interact. energy: -0.267
local terms energy: -74.007159
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -8.783
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: 141
Temperature: 1.200000
Total energy: -116.343120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.343120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.343120 (E_RNA)
where:
Base-Base interactions energy: -47.340
where: short stacking energy: -34.365
Base-Backbone interact. energy: 1.194
local terms energy: -70.196262
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -124.815344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.815344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.815344 (E_RNA)
where:
Base-Base interactions energy: -57.698
where: short stacking energy: -43.244
Base-Backbone interact. energy: -0.096
local terms energy: -67.021153
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -20.773
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -6.094
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: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -96.454378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.454378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.454378 (E_RNA)
where:
Base-Base interactions energy: -30.830
where: short stacking energy: -23.633
Base-Backbone interact. energy: 0.874
local terms energy: -66.499066
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -21.474
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: 3.907
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: 3
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -124.610117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.610117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.610117 (E_RNA)
where:
Base-Base interactions energy: -58.219
where: short stacking energy: -31.761
Base-Backbone interact. energy: -0.846
local terms energy: -65.545420
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -20.601
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -2.749
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -292.453745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.453745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.453745 (E_RNA)
where:
Base-Base interactions energy: -191.473
where: short stacking energy: -88.818
Base-Backbone interact. energy: -1.987
local terms energy: -98.994252
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -22.938
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -22.361
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: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -295.227564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.227564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.227564 (E_RNA)
where:
Base-Base interactions energy: -201.542
where: short stacking energy: -91.521
Base-Backbone interact. energy: -0.284
local terms energy: -93.401837
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -259.342869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.342869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.342869 (E_RNA)
where:
Base-Base interactions energy: -161.826
where: short stacking energy: -84.051
Base-Backbone interact. energy: -0.571
local terms energy: -96.946083
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -19.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -289.921873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.921873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.921873 (E_RNA)
where:
Base-Base interactions energy: -189.057
where: short stacking energy: -87.429
Base-Backbone interact. energy: -0.649
local terms energy: -100.216065
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -22.258
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -24.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -206.544343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.544343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.544343 (E_RNA)
where:
Base-Base interactions energy: -121.271
where: short stacking energy: -78.777
Base-Backbone interact. energy: -0.145
local terms energy: -85.128264
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -216.641600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.641600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.641600 (E_RNA)
where:
Base-Base interactions energy: -132.777
where: short stacking energy: -58.784
Base-Backbone interact. energy: -0.489
local terms energy: -83.376184
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -20.080
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -14.252
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: 142
Temperature: 1.200000
Total energy: -122.317554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.317554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.317554 (E_RNA)
where:
Base-Base interactions energy: -53.293
where: short stacking energy: -46.714
Base-Backbone interact. energy: -0.507
local terms energy: -68.517039
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -7.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -127.488871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.488871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.488871 (E_RNA)
where:
Base-Base interactions energy: -62.337
where: short stacking energy: -43.971
Base-Backbone interact. energy: -0.693
local terms energy: -64.459155
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -5.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -150.210950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.210950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.210950 (E_RNA)
where:
Base-Base interactions energy: -82.518
where: short stacking energy: -40.992
Base-Backbone interact. energy: -0.021
local terms energy: -67.672322
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -4.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -104.490222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.490222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.490222 (E_RNA)
where:
Base-Base interactions energy: -38.309
where: short stacking energy: -37.529
Base-Backbone interact. energy: -0.794
local terms energy: -65.386953
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -294.324443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.324443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.324443 (E_RNA)
where:
Base-Base interactions energy: -199.049
where: short stacking energy: -92.615
Base-Backbone interact. energy: -0.130
local terms energy: -95.145262
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -293.647794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.647794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.647794 (E_RNA)
where:
Base-Base interactions energy: -197.527
where: short stacking energy: -94.176
Base-Backbone interact. energy: -1.101
local terms energy: -95.019999
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -22.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -253.324311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.324311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.324311 (E_RNA)
where:
Base-Base interactions energy: -155.927
where: short stacking energy: -72.255
Base-Backbone interact. energy: 1.128
local terms energy: -98.525277
where:
bonds (distance) C4'-P energy: -18.899
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -17.239
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: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -246.154325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.154325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.154325 (E_RNA)
where:
Base-Base interactions energy: -150.086
where: short stacking energy: -74.626
Base-Backbone interact. energy: -0.928
local terms energy: -95.140317
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -22.112
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -19.000
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: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -234.567178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.567178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.567178 (E_RNA)
where:
Base-Base interactions energy: -145.736
where: short stacking energy: -73.960
Base-Backbone interact. energy: -0.315
local terms energy: -88.516740
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -211.195344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.195344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.195344 (E_RNA)
where:
Base-Base interactions energy: -133.915
where: short stacking energy: -59.722
Base-Backbone interact. energy: 0.343
local terms energy: -77.623765
where:
bonds (distance) C4'-P energy: -17.823
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -13.645
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: 7, replica: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -126.632650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.632650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.632650 (E_RNA)
where:
Base-Base interactions energy: -57.112
where: short stacking energy: -43.079
Base-Backbone interact. energy: -0.102
local terms energy: -69.417930
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -10.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -123.254390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.254390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.254390 (E_RNA)
where:
Base-Base interactions energy: -53.197
where: short stacking energy: -38.449
Base-Backbone interact. energy: -0.562
local terms energy: -69.494723
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -19.637
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -9.659
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: 10
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -124.640822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.640822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.640822 (E_RNA)
where:
Base-Base interactions energy: -46.018
where: short stacking energy: -44.641
Base-Backbone interact. energy: -0.077
local terms energy: -78.545673
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -9.643
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: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -91.957159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.957159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.957159 (E_RNA)
where:
Base-Base interactions energy: -21.977
where: short stacking energy: -19.885
Base-Backbone interact. energy: -0.266
local terms energy: -69.714401
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -2.839
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -296.402839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.402839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.402839 (E_RNA)
where:
Base-Base interactions energy: -197.383
where: short stacking energy: -94.585
Base-Backbone interact. energy: -0.215
local terms energy: -98.804245
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -26.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -287.366081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.366081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.366081 (E_RNA)
where:
Base-Base interactions energy: -193.292
where: short stacking energy: -93.003
Base-Backbone interact. energy: -0.011
local terms energy: -94.063318
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -20.121
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -257.163951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.163951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.163951 (E_RNA)
where:
Base-Base interactions energy: -170.437
where: short stacking energy: -93.487
Base-Backbone interact. energy: -0.008
local terms energy: -86.718951
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -20.718
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -247.901380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.901380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.901380 (E_RNA)
where:
Base-Base interactions energy: -163.061
where: short stacking energy: -79.448
Base-Backbone interact. energy: -0.864
local terms energy: -83.976557
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -19.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -222.272844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.272844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.272844 (E_RNA)
where:
Base-Base interactions energy: -140.111
where: short stacking energy: -60.449
Base-Backbone interact. energy: -0.738
local terms energy: -81.424519
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -21.984
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -10.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -204.516721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.516721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.516721 (E_RNA)
where:
Base-Base interactions energy: -129.049
where: short stacking energy: -67.251
Base-Backbone interact. energy: -0.037
local terms energy: -75.430814
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -13.305
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: 7, replica: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -143.355070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.355070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.355070 (E_RNA)
where:
Base-Base interactions energy: -71.593
where: short stacking energy: -39.809
Base-Backbone interact. energy: -1.271
local terms energy: -70.491213
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -3.819
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: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -115.683246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.683246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.683246 (E_RNA)
where:
Base-Base interactions energy: -56.272
where: short stacking energy: -37.042
Base-Backbone interact. energy: -0.658
local terms energy: -58.752999
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: 0.873
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: 144
Temperature: 1.300000
Total energy: -111.288820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.288820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.288820 (E_RNA)
where:
Base-Base interactions energy: -51.558
where: short stacking energy: -41.946
Base-Backbone interact. energy: -0.285
local terms energy: -59.446250
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -105.424403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.424403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.424403 (E_RNA)
where:
Base-Base interactions energy: -46.029
where: short stacking energy: -27.511
Base-Backbone interact. energy: -0.810
local terms energy: -58.585179
where:
bonds (distance) C4'-P energy: -21.171
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -2.953
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -290.616864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.616864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.616864 (E_RNA)
where:
Base-Base interactions energy: -190.145
where: short stacking energy: -88.040
Base-Backbone interact. energy: -0.256
local terms energy: -100.215966
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -22.715
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -24.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -290.583458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.583458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.583458 (E_RNA)
where:
Base-Base interactions energy: -201.354
where: short stacking energy: -87.593
Base-Backbone interact. energy: -0.816
local terms energy: -88.413219
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -23.317
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -242.688349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.688349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.688349 (E_RNA)
where:
Base-Base interactions energy: -153.710
where: short stacking energy: -77.771
Base-Backbone interact. energy: -0.013
local terms energy: -88.965073
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -18.637
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: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -237.169077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.169077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.169077 (E_RNA)
where:
Base-Base interactions energy: -147.472
where: short stacking energy: -65.234
Base-Backbone interact. energy: -0.431
local terms energy: -89.266003
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -11.883
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: 145
Temperature: 1.100000
Total energy: -226.566044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.566044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.566044 (E_RNA)
where:
Base-Base interactions energy: -150.587
where: short stacking energy: -59.878
Base-Backbone interact. energy: -0.203
local terms energy: -75.776033
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -4.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -172.886058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.886058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.886058 (E_RNA)
where:
Base-Base interactions energy: -109.728
where: short stacking energy: -53.678
Base-Backbone interact. energy: -0.136
local terms energy: -63.022434
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -12.395
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: 7, replica: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -147.377364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.377364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.377364 (E_RNA)
where:
Base-Base interactions energy: -76.647
where: short stacking energy: -50.771
Base-Backbone interact. energy: -0.215
local terms energy: -70.515548
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -113.877675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.877675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.877675 (E_RNA)
where:
Base-Base interactions energy: -42.428
where: short stacking energy: -41.106
Base-Backbone interact. energy: -0.468
local terms energy: -70.981036
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -9.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -111.127615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.127615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.127615 (E_RNA)
where:
Base-Base interactions energy: -33.928
where: short stacking energy: -33.928
Base-Backbone interact. energy: -0.422
local terms energy: -76.777398
where:
bonds (distance) C4'-P energy: -20.153
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -94.249713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.249713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.249713 (E_RNA)
where:
Base-Base interactions energy: -31.903
where: short stacking energy: -27.377
Base-Backbone interact. energy: -0.426
local terms energy: -61.921595
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -8.437
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -289.097449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.097449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.097449 (E_RNA)
where:
Base-Base interactions energy: -185.902
where: short stacking energy: -85.295
Base-Backbone interact. energy: -0.496
local terms energy: -102.698846
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -23.055
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -22.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -291.297514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.297514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.297514 (E_RNA)
where:
Base-Base interactions energy: -197.537
where: short stacking energy: -82.734
Base-Backbone interact. energy: -0.097
local terms energy: -93.663242
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -20.260
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: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -252.340792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.340792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.340792 (E_RNA)
where:
Base-Base interactions energy: -155.089
where: short stacking energy: -86.556
Base-Backbone interact. energy: -0.614
local terms energy: -96.637992
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -24.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -237.492469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.492469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.492469 (E_RNA)
where:
Base-Base interactions energy: -152.549
where: short stacking energy: -78.359
Base-Backbone interact. energy: -0.317
local terms energy: -84.626458
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -242.893931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.893931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.893931 (E_RNA)
where:
Base-Base interactions energy: -158.102
where: short stacking energy: -66.727
Base-Backbone interact. energy: -0.336
local terms energy: -84.456483
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -162.331918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.331918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.331918 (E_RNA)
where:
Base-Base interactions energy: -99.109
where: short stacking energy: -58.135
Base-Backbone interact. energy: -0.080
local terms energy: -63.142440
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -9.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -134.693785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.693785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.693785 (E_RNA)
where:
Base-Base interactions energy: -71.886
where: short stacking energy: -33.322
Base-Backbone interact. energy: -0.003
local terms energy: -62.804971
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -130.458373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.458373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.458373 (E_RNA)
where:
Base-Base interactions energy: -57.403
where: short stacking energy: -43.369
Base-Backbone interact. energy: -0.149
local terms energy: -72.905836
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -7.077
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: 9, replica: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -105.298910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.298910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.298910 (E_RNA)
where:
Base-Base interactions energy: -36.511
where: short stacking energy: -36.511
Base-Backbone interact. energy: -0.277
local terms energy: -68.510840
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -94.939026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.939026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.939026 (E_RNA)
where:
Base-Base interactions energy: -33.839
where: short stacking energy: -32.346
Base-Backbone interact. energy: -0.392
local terms energy: -60.707427
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -8.938
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -8.046
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -287.577022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.577022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.577022 (E_RNA)
where:
Base-Base interactions energy: -199.143
where: short stacking energy: -89.282
Base-Backbone interact. energy: -1.092
local terms energy: -87.342282
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -23.775
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -275.826403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.826403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.826403 (E_RNA)
where:
Base-Base interactions energy: -183.043
where: short stacking energy: -76.819
Base-Backbone interact. energy: -1.478
local terms energy: -91.305717
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -19.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -256.160300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.160300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.160300 (E_RNA)
where:
Base-Base interactions energy: -152.256
where: short stacking energy: -92.404
Base-Backbone interact. energy: -0.155
local terms energy: -103.749678
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -21.796
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -23.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -256.837718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.837718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.837718 (E_RNA)
where:
Base-Base interactions energy: -152.621
where: short stacking energy: -79.755
Base-Backbone interact. energy: -0.146
local terms energy: -104.071040
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -24.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -228.007152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.007152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.007152 (E_RNA)
where:
Base-Base interactions energy: -142.729
where: short stacking energy: -69.757
Base-Backbone interact. energy: -1.347
local terms energy: -83.931007
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -165.729408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.729408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.729408 (E_RNA)
where:
Base-Base interactions energy: -88.029
where: short stacking energy: -58.296
Base-Backbone interact. energy: 0.085
local terms energy: -77.785820
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -9.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -165.193559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.193559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.193559 (E_RNA)
where:
Base-Base interactions energy: -89.485
where: short stacking energy: -44.603
Base-Backbone interact. energy: 0.084
local terms energy: -75.791875
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -107.484679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.484679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.484679 (E_RNA)
where:
Base-Base interactions energy: -41.128
where: short stacking energy: -28.973
Base-Backbone interact. energy: -0.351
local terms energy: -66.005556
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -124.859569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.859569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.859569 (E_RNA)
where:
Base-Base interactions energy: -60.532
where: short stacking energy: -36.576
Base-Backbone interact. energy: -0.210
local terms energy: -64.117686
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: 2.016
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: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -89.479996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.479996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.479996 (E_RNA)
where:
Base-Base interactions energy: -28.452
where: short stacking energy: -28.206
Base-Backbone interact. energy: -0.452
local terms energy: -60.575688
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -19.853
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: 3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -287.234431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.234431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.234431 (E_RNA)
where:
Base-Base interactions energy: -193.392
where: short stacking energy: -84.505
Base-Backbone interact. energy: -0.625
local terms energy: -93.217538
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -15.186
tors. eta vs tors. theta energy: -16.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -287.115560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.115560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.115560 (E_RNA)
where:
Base-Base interactions energy: -186.053
where: short stacking energy: -91.028
Base-Backbone interact. energy: -1.122
local terms energy: -99.940868
where:
bonds (distance) C4'-P energy: -20.622
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -253.009716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.009716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.009716 (E_RNA)
where:
Base-Base interactions energy: -156.317
where: short stacking energy: -84.763
Base-Backbone interact. energy: -0.650
local terms energy: -96.042862
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -21.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -262.968383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.968383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.968383 (E_RNA)
where:
Base-Base interactions energy: -173.236
where: short stacking energy: -80.484
Base-Backbone interact. energy: -0.042
local terms energy: -89.691164
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -169.748245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.748245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.748245 (E_RNA)
where:
Base-Base interactions energy: -92.410
where: short stacking energy: -60.724
Base-Backbone interact. energy: -0.016
local terms energy: -77.321606
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -163.849864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.849864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.849864 (E_RNA)
where:
Base-Base interactions energy: -83.487
where: short stacking energy: -50.088
Base-Backbone interact. energy: -0.305
local terms energy: -80.058186
where:
bonds (distance) C4'-P energy: -24.467
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -8.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -154.032406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.032406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.032406 (E_RNA)
where:
Base-Base interactions energy: -83.376
where: short stacking energy: -50.316
Base-Backbone interact. energy: -0.161
local terms energy: -70.494632
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -10.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -101.255415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.255415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.255415 (E_RNA)
where:
Base-Base interactions energy: -32.721
where: short stacking energy: -26.205
Base-Backbone interact. energy: -0.139
local terms energy: -68.395501
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: 2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -133.532556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.532556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.532556 (E_RNA)
where:
Base-Base interactions energy: -64.350
where: short stacking energy: -38.620
Base-Backbone interact. energy: -0.095
local terms energy: -69.086881
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -9.653
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: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -102.892243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.892243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.892243 (E_RNA)
where:
Base-Base interactions energy: -39.652
where: short stacking energy: -29.631
Base-Backbone interact. energy: 0.226
local terms energy: -63.465598
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: 0.146
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -296.272324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.272324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.272324 (E_RNA)
where:
Base-Base interactions energy: -204.037
where: short stacking energy: -88.539
Base-Backbone interact. energy: -0.356
local terms energy: -91.878630
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -18.870
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: 2, replica: 9
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -299.688443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.688443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.688443 (E_RNA)
where:
Base-Base interactions energy: -199.454
where: short stacking energy: -96.150
Base-Backbone interact. energy: -1.129
local terms energy: -99.105732
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -23.159
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -24.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -251.697230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.697230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.697230 (E_RNA)
where:
Base-Base interactions energy: -151.757
where: short stacking energy: -79.999
Base-Backbone interact. energy: -0.136
local terms energy: -99.804854
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -23.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -265.751836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.751836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.751836 (E_RNA)
where:
Base-Base interactions energy: -167.584
where: short stacking energy: -83.400
Base-Backbone interact. energy: -0.988
local terms energy: -97.179896
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -27.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -159.452637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.452637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.452637 (E_RNA)
where:
Base-Base interactions energy: -91.228
where: short stacking energy: -57.720
Base-Backbone interact. energy: 1.008
local terms energy: -69.233124
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -14.161
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: 6, replica: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -175.003410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.003410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.003410 (E_RNA)
where:
Base-Base interactions energy: -92.445
where: short stacking energy: -62.726
Base-Backbone interact. energy: -0.383
local terms energy: -82.174895
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -23.790
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -146.261832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.261832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.261832 (E_RNA)
where:
Base-Base interactions energy: -72.714
where: short stacking energy: -44.259
Base-Backbone interact. energy: -0.206
local terms energy: -73.341549
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -107.508148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.508148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.508148 (E_RNA)
where:
Base-Base interactions energy: -42.953
where: short stacking energy: -30.397
Base-Backbone interact. energy: 0.243
local terms energy: -64.797547
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -106.377130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.377130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.377130 (E_RNA)
where:
Base-Base interactions energy: -37.326
where: short stacking energy: -26.039
Base-Backbone interact. energy: -0.950
local terms energy: -68.101652
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -22.480
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: 3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -105.907143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.907143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.907143 (E_RNA)
where:
Base-Base interactions energy: -35.280
where: short stacking energy: -33.820
Base-Backbone interact. energy: -0.901
local terms energy: -69.726649
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -3.099
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -294.745099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.745099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.745099 (E_RNA)
where:
Base-Base interactions energy: -190.253
where: short stacking energy: -85.941
Base-Backbone interact. energy: -0.846
local terms energy: -103.646777
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -21.859
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -23.503
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: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -292.051055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.051055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.051055 (E_RNA)
where:
Base-Base interactions energy: -196.772
where: short stacking energy: -95.322
Base-Backbone interact. energy: -0.787
local terms energy: -94.492694
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -258.811352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.811352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.811352 (E_RNA)
where:
Base-Base interactions energy: -170.891
where: short stacking energy: -81.770
Base-Backbone interact. energy: 0.870
local terms energy: -88.790366
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -19.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -222.815508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.815508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.815508 (E_RNA)
where:
Base-Base interactions energy: -123.850
where: short stacking energy: -72.291
Base-Backbone interact. energy: -0.142
local terms energy: -98.824266
where:
bonds (distance) C4'-P energy: -21.671
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -21.319
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -157.535165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.535165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.535165 (E_RNA)
where:
Base-Base interactions energy: -83.288
where: short stacking energy: -55.283
Base-Backbone interact. energy: -0.104
local terms energy: -74.143370
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -22.261
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -6.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -162.726070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.726070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.726070 (E_RNA)
where:
Base-Base interactions energy: -94.429
where: short stacking energy: -59.159
Base-Backbone interact. energy: -0.337
local terms energy: -67.959618
where:
bonds (distance) C4'-P energy: -20.622
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -12.881
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: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -150.703522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.703522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.703522 (E_RNA)
where:
Base-Base interactions energy: -84.548
where: short stacking energy: -55.389
Base-Backbone interact. energy: -0.222
local terms energy: -65.933605
where:
bonds (distance) C4'-P energy: -8.946
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -6.573
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: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -102.275874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.275874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.275874 (E_RNA)
where:
Base-Base interactions energy: -37.580
where: short stacking energy: -29.131
Base-Backbone interact. energy: -0.203
local terms energy: -64.492697
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -0.483
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: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -111.423739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.423739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.423739 (E_RNA)
where:
Base-Base interactions energy: -41.167
where: short stacking energy: -39.185
Base-Backbone interact. energy: -0.234
local terms energy: -70.022487
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -102.819314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.819314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.819314 (E_RNA)
where:
Base-Base interactions energy: -32.984
where: short stacking energy: -29.629
Base-Backbone interact. energy: 0.064
local terms energy: -69.900196
where:
bonds (distance) C4'-P energy: -20.328
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -278.698969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.698969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.698969 (E_RNA)
where:
Base-Base interactions energy: -177.934
where: short stacking energy: -90.589
Base-Backbone interact. energy: -0.932
local terms energy: -99.832795
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -20.826
flat angles C4'-P-C4' energy: -23.881
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -23.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -294.882543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.882543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.882543 (E_RNA)
where:
Base-Base interactions energy: -192.977
where: short stacking energy: -91.553
Base-Backbone interact. energy: -0.146
local terms energy: -101.759076
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -22.699
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: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -275.936467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.936467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.936467 (E_RNA)
where:
Base-Base interactions energy: -186.936
where: short stacking energy: -87.509
Base-Backbone interact. energy: -0.576
local terms energy: -88.424547
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -201.611666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.611666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.611666 (E_RNA)
where:
Base-Base interactions energy: -112.769
where: short stacking energy: -70.987
Base-Backbone interact. energy: -0.571
local terms energy: -88.272602
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -11.025
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: 5, replica: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -156.859498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.859498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.859498 (E_RNA)
where:
Base-Base interactions energy: -76.903
where: short stacking energy: -52.330
Base-Backbone interact. energy: 0.423
local terms energy: -80.379593
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -9.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -179.448949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.448949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.448949 (E_RNA)
where:
Base-Base interactions energy: -105.555
where: short stacking energy: -48.626
Base-Backbone interact. energy: -0.358
local terms energy: -73.535988
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -2.532
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: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -120.594424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.594424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.594424 (E_RNA)
where:
Base-Base interactions energy: -41.849
where: short stacking energy: -36.137
Base-Backbone interact. energy: -0.532
local terms energy: -78.213193
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -3.057
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: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -116.110420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.110420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.110420 (E_RNA)
where:
Base-Base interactions energy: -45.867
where: short stacking energy: -45.766
Base-Backbone interact. energy: -0.066
local terms energy: -70.177243
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -116.823327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.823327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.823327 (E_RNA)
where:
Base-Base interactions energy: -49.993
where: short stacking energy: -49.993
Base-Backbone interact. energy: -0.360
local terms energy: -66.469942
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -102.308826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.308826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.308826 (E_RNA)
where:
Base-Base interactions energy: -42.006
where: short stacking energy: -41.540
Base-Backbone interact. energy: 2.343
local terms energy: -62.645210
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -304.425497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.425497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.425497 (E_RNA)
where:
Base-Base interactions energy: -193.217
where: short stacking energy: -100.617
Base-Backbone interact. energy: -0.050
local terms energy: -111.158262
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -22.196
flat angles C4'-P-C4' energy: -21.171
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -30.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -287.115856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.115856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.115856 (E_RNA)
where:
Base-Base interactions energy: -185.278
where: short stacking energy: -91.453
Base-Backbone interact. energy: 0.773
local terms energy: -102.611064
where:
bonds (distance) C4'-P energy: -23.478
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -19.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -280.151210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.151210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.151210 (E_RNA)
where:
Base-Base interactions energy: -184.636
where: short stacking energy: -81.997
Base-Backbone interact. energy: -1.182
local terms energy: -94.333158
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -16.253
tors. eta vs tors. theta energy: -17.949
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: 4, replica: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -195.798155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.798155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.798155 (E_RNA)
where:
Base-Base interactions energy: -115.954
where: short stacking energy: -62.518
Base-Backbone interact. energy: -0.878
local terms energy: -78.966203
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -9.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -161.793677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.793677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.793677 (E_RNA)
where:
Base-Base interactions energy: -87.239
where: short stacking energy: -56.025
Base-Backbone interact. energy: -0.474
local terms energy: -74.080513
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -12.610
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: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -177.889131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.889131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.889131 (E_RNA)
where:
Base-Base interactions energy: -96.935
where: short stacking energy: -63.200
Base-Backbone interact. energy: -0.072
local terms energy: -80.882610
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -18.658
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -13.723
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: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -146.568579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.568579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.568579 (E_RNA)
where:
Base-Base interactions energy: -87.622
where: short stacking energy: -46.104
Base-Backbone interact. energy: -0.223
local terms energy: -58.724011
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -3.102
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: 8, replica: 3
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -102.559644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.559644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.559644 (E_RNA)
where:
Base-Base interactions energy: -40.295
where: short stacking energy: -40.295
Base-Backbone interact. energy: 0.433
local terms energy: -62.697899
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: 0.836
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: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -105.165070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.165070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.165070 (E_RNA)
where:
Base-Base interactions energy: -42.164
where: short stacking energy: -38.077
Base-Backbone interact. energy: -0.853
local terms energy: -62.148090
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -121.432255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.432255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.432255 (E_RNA)
where:
Base-Base interactions energy: -57.701
where: short stacking energy: -31.698
Base-Backbone interact. energy: -0.146
local terms energy: -63.585324
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -8.481
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -12.937
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -295.208706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.208706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.208706 (E_RNA)
where:
Base-Base interactions energy: -195.967
where: short stacking energy: -99.889
Base-Backbone interact. energy: -0.010
local terms energy: -99.232041
where:
bonds (distance) C4'-P energy: -20.295
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -24.128
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: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -275.381105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.381105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.381105 (E_RNA)
where:
Base-Base interactions energy: -177.285
where: short stacking energy: -85.425
Base-Backbone interact. energy: -0.038
local terms energy: -98.057854
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -23.535
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -281.471225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.471225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.471225 (E_RNA)
where:
Base-Base interactions energy: -187.199
where: short stacking energy: -81.287
Base-Backbone interact. energy: 1.232
local terms energy: -95.504689
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -24.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -181.430865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.430865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.430865 (E_RNA)
where:
Base-Base interactions energy: -92.111
where: short stacking energy: -61.989
Base-Backbone interact. energy: -0.574
local terms energy: -88.746155
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -23.315
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -206.465552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.465552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.465552 (E_RNA)
where:
Base-Base interactions energy: -114.861
where: short stacking energy: -71.967
Base-Backbone interact. energy: -0.354
local terms energy: -91.249698
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -161.009741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.009741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.009741 (E_RNA)
where:
Base-Base interactions energy: -81.352
where: short stacking energy: -51.635
Base-Backbone interact. energy: 1.038
local terms energy: -80.695901
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -13.007
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: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -161.056322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.056322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.056322 (E_RNA)
where:
Base-Base interactions energy: -87.930
where: short stacking energy: -45.491
Base-Backbone interact. energy: -0.135
local terms energy: -72.991002
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -18.824
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -13.814
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: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -118.174536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.174536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.174536 (E_RNA)
where:
Base-Base interactions energy: -44.749
where: short stacking energy: -40.672
Base-Backbone interact. energy: -0.270
local terms energy: -73.154661
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -6.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -103.017074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.017074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.017074 (E_RNA)
where:
Base-Base interactions energy: -47.550
where: short stacking energy: -37.292
Base-Backbone interact. energy: -1.362
local terms energy: -54.105267
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -7.449
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: 4.706
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: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -101.226952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.226952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.226952 (E_RNA)
where:
Base-Base interactions energy: -36.725
where: short stacking energy: -29.264
Base-Backbone interact. energy: -0.204
local terms energy: -64.298016
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -3.788
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -300.477592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.477592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.477592 (E_RNA)
where:
Base-Base interactions energy: -198.190
where: short stacking energy: -89.648
Base-Backbone interact. energy: -0.101
local terms energy: -102.186061
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -22.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -270.288692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.288692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.288692 (E_RNA)
where:
Base-Base interactions energy: -183.249
where: short stacking energy: -79.797
Base-Backbone interact. energy: 1.380
local terms energy: -88.419182
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -17.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -290.598069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.598069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.598069 (E_RNA)
where:
Base-Base interactions energy: -195.931
where: short stacking energy: -89.746
Base-Backbone interact. energy: -0.378
local terms energy: -94.289225
where:
bonds (distance) C4'-P energy: -19.806
bonds (distance) P-C4' energy: -23.491
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -23.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -187.776383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.776383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.776383 (E_RNA)
where:
Base-Base interactions energy: -100.824
where: short stacking energy: -62.631
Base-Backbone interact. energy: -0.141
local terms energy: -86.812184
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -16.029
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: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -209.709935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.709935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.709935 (E_RNA)
where:
Base-Base interactions energy: -130.507
where: short stacking energy: -78.664
Base-Backbone interact. energy: 0.811
local terms energy: -80.013213
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -11.411
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: 6, replica: 8
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -169.541607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.541607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.541607 (E_RNA)
where:
Base-Base interactions energy: -98.700
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.852
local terms energy: -69.990133
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -11.384
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: 7, replica: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -170.432099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.432099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.432099 (E_RNA)
where:
Base-Base interactions energy: -85.897
where: short stacking energy: -63.729
Base-Backbone interact. energy: -0.270
local terms energy: -84.265289
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -133.241137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.241137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.241137 (E_RNA)
where:
Base-Base interactions energy: -56.577
where: short stacking energy: -31.013
Base-Backbone interact. energy: -1.518
local terms energy: -75.145409
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -10.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -138.622823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.622823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.622823 (E_RNA)
where:
Base-Base interactions energy: -71.694
where: short stacking energy: -42.234
Base-Backbone interact. energy: -1.061
local terms energy: -65.867791
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -101.996025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.996025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.996025 (E_RNA)
where:
Base-Base interactions energy: -40.054
where: short stacking energy: -38.248
Base-Backbone interact. energy: -0.083
local terms energy: -61.859438
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -5.848
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -319.158062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.158062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.158062 (E_RNA)
where:
Base-Base interactions energy: -216.324
where: short stacking energy: -90.312
Base-Backbone interact. energy: -0.169
local terms energy: -102.665637
where:
bonds (distance) C4'-P energy: -21.355
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -17.182
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -287.299503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.299503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.299503 (E_RNA)
where:
Base-Base interactions energy: -188.463
where: short stacking energy: -86.664
Base-Backbone interact. energy: -0.373
local terms energy: -98.463450
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -24.070
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: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -297.561993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.561993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.561993 (E_RNA)
where:
Base-Base interactions energy: -185.323
where: short stacking energy: -90.840
Base-Backbone interact. energy: -0.103
local terms energy: -112.135942
where:
bonds (distance) C4'-P energy: -22.777
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -24.937
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -25.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -220.840525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.840525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.840525 (E_RNA)
where:
Base-Base interactions energy: -129.080
where: short stacking energy: -77.694
Base-Backbone interact. energy: -0.085
local terms energy: -91.674979
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -23.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -199.487857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.487857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.487857 (E_RNA)
where:
Base-Base interactions energy: -114.346
where: short stacking energy: -62.157
Base-Backbone interact. energy: 0.655
local terms energy: -85.796412
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -22.763
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -160.276919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.276919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.276919 (E_RNA)
where:
Base-Base interactions energy: -78.418
where: short stacking energy: -46.352
Base-Backbone interact. energy: -0.027
local terms energy: -81.832167
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -22.715
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -8.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -165.580064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.580064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.580064 (E_RNA)
where:
Base-Base interactions energy: -98.521
where: short stacking energy: -40.637
Base-Backbone interact. energy: -0.340
local terms energy: -66.719244
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -1.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -134.906279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.906279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.906279 (E_RNA)
where:
Base-Base interactions energy: -68.256
where: short stacking energy: -45.459
Base-Backbone interact. energy: -0.242
local terms energy: -66.408238
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -106.848449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.848449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.848449 (E_RNA)
where:
Base-Base interactions energy: -47.089
where: short stacking energy: -35.641
Base-Backbone interact. energy: 1.314
local terms energy: -61.073770
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -1.774
tors. eta vs tors. theta energy: 2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -96.679405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.679405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.679405 (E_RNA)
where:
Base-Base interactions energy: -41.464
where: short stacking energy: -40.104
Base-Backbone interact. energy: -0.410
local terms energy: -54.805005
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: 2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -310.789844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.789844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.789844 (E_RNA)
where:
Base-Base interactions energy: -211.156
where: short stacking energy: -91.997
Base-Backbone interact. energy: -0.107
local terms energy: -99.525995
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -21.129
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: 2, replica: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -288.038313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.038313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.038313 (E_RNA)
where:
Base-Base interactions energy: -200.057
where: short stacking energy: -92.553
Base-Backbone interact. energy: 0.340
local terms energy: -88.321361
where:
bonds (distance) C4'-P energy: -21.148
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -282.335832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.335832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.335832 (E_RNA)
where:
Base-Base interactions energy: -189.601
where: short stacking energy: -89.988
Base-Backbone interact. energy: -0.104
local terms energy: -92.631644
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -22.178
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: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -249.368513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.368513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.368513 (E_RNA)
where:
Base-Base interactions energy: -155.512
where: short stacking energy: -82.336
Base-Backbone interact. energy: -0.226
local terms energy: -93.630672
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -19.445
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: -22.631
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: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -175.474085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.474085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.474085 (E_RNA)
where:
Base-Base interactions energy: -95.624
where: short stacking energy: -64.859
Base-Backbone interact. energy: 0.349
local terms energy: -80.198213
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -13.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -179.191905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.191905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.191905 (E_RNA)
where:
Base-Base interactions energy: -111.181
where: short stacking energy: -54.814
Base-Backbone interact. energy: -0.797
local terms energy: -67.214279
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -12.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -177.750516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.750516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.750516 (E_RNA)
where:
Base-Base interactions energy: -98.160
where: short stacking energy: -60.041
Base-Backbone interact. energy: -0.293
local terms energy: -79.296841
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -20.944
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -111.626969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.626969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.626969 (E_RNA)
where:
Base-Base interactions energy: -42.335
where: short stacking energy: -42.742
Base-Backbone interact. energy: -0.168
local terms energy: -69.124509
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -10.485
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -13.623
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: 9, replica: 4
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -145.009642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.009642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.009642 (E_RNA)
where:
Base-Base interactions energy: -83.049
where: short stacking energy: -54.098
Base-Backbone interact. energy: -0.478
local terms energy: -61.482639
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -3.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -116.183794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.183794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.183794 (E_RNA)
where:
Base-Base interactions energy: -41.880
where: short stacking energy: -41.880
Base-Backbone interact. energy: -0.168
local terms energy: -74.136219
where:
bonds (distance) C4'-P energy: -22.994
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -8.096
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -306.471105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.471105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.471105 (E_RNA)
where:
Base-Base interactions energy: -209.942
where: short stacking energy: -95.674
Base-Backbone interact. energy: -0.309
local terms energy: -96.220146
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -21.105
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -24.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -280.878315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.878315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.878315 (E_RNA)
where:
Base-Base interactions energy: -186.669
where: short stacking energy: -83.007
Base-Backbone interact. energy: -1.693
local terms energy: -92.516484
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -20.718
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -25.207
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: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -283.852164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.852164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.852164 (E_RNA)
where:
Base-Base interactions energy: -189.600
where: short stacking energy: -82.706
Base-Backbone interact. energy: -0.032
local terms energy: -94.219618
where:
bonds (distance) C4'-P energy: -21.950
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -21.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -241.082559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.082559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.082559 (E_RNA)
where:
Base-Base interactions energy: -153.235
where: short stacking energy: -80.579
Base-Backbone interact. energy: -0.733
local terms energy: -87.114057
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -194.145274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.145274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.145274 (E_RNA)
where:
Base-Base interactions energy: -105.443
where: short stacking energy: -52.133
Base-Backbone interact. energy: 0.194
local terms energy: -88.895918
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -12.654
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: 6, replica: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -178.974960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.974960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.974960 (E_RNA)
where:
Base-Base interactions energy: -94.261
where: short stacking energy: -50.063
Base-Backbone interact. energy: -0.431
local terms energy: -84.282218
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -24.073
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -11.640
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: 157
Temperature: 1.200000
Total energy: -132.814106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.814106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.814106 (E_RNA)
where:
Base-Base interactions energy: -60.242
where: short stacking energy: -49.282
Base-Backbone interact. energy: -0.587
local terms energy: -71.985326
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -11.358
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: 8, replica: 10
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -136.442671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.442671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.442671 (E_RNA)
where:
Base-Base interactions energy: -73.770
where: short stacking energy: -43.461
Base-Backbone interact. energy: -0.645
local terms energy: -62.027868
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -107.433126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.433126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.433126 (E_RNA)
where:
Base-Base interactions energy: -41.082
where: short stacking energy: -41.082
Base-Backbone interact. energy: 0.721
local terms energy: -67.072834
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -1.073
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: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -95.113280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.113280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.113280 (E_RNA)
where:
Base-Base interactions energy: -31.390
where: short stacking energy: -28.120
Base-Backbone interact. energy: -0.032
local terms energy: -63.691990
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -6.249
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -311.637441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.637441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.637441 (E_RNA)
where:
Base-Base interactions energy: -203.838
where: short stacking energy: -99.620
Base-Backbone interact. energy: -0.800
local terms energy: -107.000030
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -21.627
flat angles P-C4'-P energy: -18.813
tors. eta vs tors. theta energy: -25.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -276.436231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.436231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.436231 (E_RNA)
where:
Base-Base interactions energy: -177.494
where: short stacking energy: -82.145
Base-Backbone interact. energy: -0.495
local terms energy: -98.446788
where:
bonds (distance) C4'-P energy: -20.594
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -20.997
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: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -280.912671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.912671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.912671 (E_RNA)
where:
Base-Base interactions energy: -183.536
where: short stacking energy: -85.615
Base-Backbone interact. energy: -2.051
local terms energy: -95.325504
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -21.594
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: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -240.591519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.591519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.591519 (E_RNA)
where:
Base-Base interactions energy: -149.384
where: short stacking energy: -70.511
Base-Backbone interact. energy: -0.874
local terms energy: -90.332737
where:
bonds (distance) C4'-P energy: -22.745
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -178.804388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.804388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.804388 (E_RNA)
where:
Base-Base interactions energy: -117.745
where: short stacking energy: -42.682
Base-Backbone interact. energy: -1.245
local terms energy: -59.815241
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: 1.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -172.115923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.115923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.115923 (E_RNA)
where:
Base-Base interactions energy: -105.458
where: short stacking energy: -47.910
Base-Backbone interact. energy: -0.329
local terms energy: -66.328212
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -6.027
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: 158
Temperature: 1.200000
Total energy: -150.335532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.335532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.335532 (E_RNA)
where:
Base-Base interactions energy: -78.384
where: short stacking energy: -46.198
Base-Backbone interact. energy: -0.209
local terms energy: -71.742680
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -100.860528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.860528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.860528 (E_RNA)
where:
Base-Base interactions energy: -45.759
where: short stacking energy: -35.601
Base-Backbone interact. energy: 1.502
local terms energy: -56.603672
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: 2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -109.516154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.516154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.516154 (E_RNA)
where:
Base-Base interactions energy: -53.002
where: short stacking energy: -46.135
Base-Backbone interact. energy: -0.417
local terms energy: -56.097606
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -20.930
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: -2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -122.027217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.027217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.027217 (E_RNA)
where:
Base-Base interactions energy: -63.229
where: short stacking energy: -37.174
Base-Backbone interact. energy: -0.727
local terms energy: -58.070874
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -8.712
flat angles P-C4'-P energy: -4.371
tors. eta vs tors. theta energy: -3.144
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -304.130755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.130755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.130755 (E_RNA)
where:
Base-Base interactions energy: -203.911
where: short stacking energy: -92.553
Base-Backbone interact. energy: -0.166
local terms energy: -100.054169
where:
bonds (distance) C4'-P energy: -22.443
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -21.609
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -26.994
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: 5
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -296.430589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.430589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.430589 (E_RNA)
where:
Base-Base interactions energy: -191.624
where: short stacking energy: -92.017
Base-Backbone interact. energy: -0.223
local terms energy: -104.583783
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -22.843
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -21.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -280.886185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.886185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.886185 (E_RNA)
where:
Base-Base interactions energy: -179.150
where: short stacking energy: -93.095
Base-Backbone interact. energy: 0.181
local terms energy: -101.917296
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -21.703
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -27.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -244.515288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.515288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.515288 (E_RNA)
where:
Base-Base interactions energy: -149.134
where: short stacking energy: -82.861
Base-Backbone interact. energy: 0.378
local terms energy: -95.759991
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -24.598
flat angles P-C4'-P energy: -16.905
tors. eta vs tors. theta energy: -18.105
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: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -168.745641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.745641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.745641 (E_RNA)
where:
Base-Base interactions energy: -90.281
where: short stacking energy: -55.670
Base-Backbone interact. energy: -0.806
local terms energy: -77.657999
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -17.965
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: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -158.040722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.040722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.040722 (E_RNA)
where:
Base-Base interactions energy: -81.356
where: short stacking energy: -50.819
Base-Backbone interact. energy: -0.150
local terms energy: -76.534581
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -13.708
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: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -133.043536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.043536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.043536 (E_RNA)
where:
Base-Base interactions energy: -47.454
where: short stacking energy: -46.365
Base-Backbone interact. energy: -0.024
local terms energy: -85.565774
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -117.633326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.633326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.633326 (E_RNA)
where:
Base-Base interactions energy: -48.881
where: short stacking energy: -36.595
Base-Backbone interact. energy: -0.115
local terms energy: -68.637477
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -99.749887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.749887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.749887 (E_RNA)
where:
Base-Base interactions energy: -38.681
where: short stacking energy: -26.277
Base-Backbone interact. energy: -1.257
local terms energy: -59.812422
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -102.790645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.790645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.790645 (E_RNA)
where:
Base-Base interactions energy: -39.632
where: short stacking energy: -38.262
Base-Backbone interact. energy: -0.329
local terms energy: -62.830131
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -6.541
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -301.836295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.836295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.836295 (E_RNA)
where:
Base-Base interactions energy: -199.734
where: short stacking energy: -94.504
Base-Backbone interact. energy: 0.067
local terms energy: -102.169113
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -22.236
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -21.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -295.242014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.242014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.242014 (E_RNA)
where:
Base-Base interactions energy: -202.879
where: short stacking energy: -91.091
Base-Backbone interact. energy: -0.107
local terms energy: -92.255616
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -21.333
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: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -278.589064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.589064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.589064 (E_RNA)
where:
Base-Base interactions energy: -190.615
where: short stacking energy: -82.731
Base-Backbone interact. energy: -0.251
local terms energy: -87.723328
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -24.082
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: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -243.766255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.766255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.766255 (E_RNA)
where:
Base-Base interactions energy: -152.998
where: short stacking energy: -68.117
Base-Backbone interact. energy: -0.113
local terms energy: -90.654821
where:
bonds (distance) C4'-P energy: -19.889
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -16.369
tors. eta vs tors. theta energy: -15.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -174.769750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.769750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.769750 (E_RNA)
where:
Base-Base interactions energy: -95.974
where: short stacking energy: -52.746
Base-Backbone interact. energy: -0.058
local terms energy: -78.738702
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -13.945
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: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -175.626733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.626733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.626733 (E_RNA)
where:
Base-Base interactions energy: -95.345
where: short stacking energy: -61.291
Base-Backbone interact. energy: -0.467
local terms energy: -79.814852
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -145.652268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.652268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.652268 (E_RNA)
where:
Base-Base interactions energy: -68.583
where: short stacking energy: -52.770
Base-Backbone interact. energy: -0.211
local terms energy: -76.858674
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -11.805
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: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -117.266501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.266501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.266501 (E_RNA)
where:
Base-Base interactions energy: -50.637
where: short stacking energy: -30.926
Base-Backbone interact. energy: -0.796
local terms energy: -65.833731
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -97.882095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.882095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.882095 (E_RNA)
where:
Base-Base interactions energy: -42.489
where: short stacking energy: -38.674
Base-Backbone interact. energy: 1.205
local terms energy: -56.598452
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -104.285232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.285232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.285232 (E_RNA)
where:
Base-Base interactions energy: -36.424
where: short stacking energy: -34.632
Base-Backbone interact. energy: -0.457
local terms energy: -67.404250
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -1.502
tors. eta vs tors. theta energy: -6.878
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -301.775132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.775132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.775132 (E_RNA)
where:
Base-Base interactions energy: -197.142
where: short stacking energy: -88.866
Base-Backbone interact. energy: -0.091
local terms energy: -104.541868
where:
bonds (distance) C4'-P energy: -20.088
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -25.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -285.841316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.841316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.841316 (E_RNA)
where:
Base-Base interactions energy: -181.378
where: short stacking energy: -80.631
Base-Backbone interact. energy: -0.814
local terms energy: -103.649366
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -21.100
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -23.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -274.637119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.637119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.637119 (E_RNA)
where:
Base-Base interactions energy: -192.393
where: short stacking energy: -82.198
Base-Backbone interact. energy: 0.336
local terms energy: -82.579305
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -19.914
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: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -233.715469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.715469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.715469 (E_RNA)
where:
Base-Base interactions energy: -145.603
where: short stacking energy: -72.534
Base-Backbone interact. energy: -0.170
local terms energy: -87.942454
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -22.102
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: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -193.500663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.500663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.500663 (E_RNA)
where:
Base-Base interactions energy: -106.043
where: short stacking energy: -68.025
Base-Backbone interact. energy: -0.537
local terms energy: -86.921397
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -18.053
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: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -186.094539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.094539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.094539 (E_RNA)
where:
Base-Base interactions energy: -109.698
where: short stacking energy: -56.902
Base-Backbone interact. energy: -0.459
local terms energy: -75.937535
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -10.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -112.087389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.087389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.087389 (E_RNA)
where:
Base-Base interactions energy: -41.219
where: short stacking energy: -40.831
Base-Backbone interact. energy: -0.210
local terms energy: -70.657974
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -15.095
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: 8, replica: 4
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -107.384747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.384747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.384747 (E_RNA)
where:
Base-Base interactions energy: -51.361
where: short stacking energy: -35.394
Base-Backbone interact. energy: 0.001
local terms energy: -56.024384
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -97.136662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.136662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.136662 (E_RNA)
where:
Base-Base interactions energy: -34.101
where: short stacking energy: -34.101
Base-Backbone interact. energy: -0.155
local terms energy: -62.880979
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -5.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -92.231003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.231003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.231003 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -25.467
Base-Backbone interact. energy: -0.284
local terms energy: -54.976800
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -1.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -292.524229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.524229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.524229 (E_RNA)
where:
Base-Base interactions energy: -191.892
where: short stacking energy: -91.400
Base-Backbone interact. energy: -0.439
local terms energy: -100.193236
where:
bonds (distance) C4'-P energy: -23.916
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -296.057423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.057423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.057423 (E_RNA)
where:
Base-Base interactions energy: -192.681
where: short stacking energy: -94.832
Base-Backbone interact. energy: 0.269
local terms energy: -103.644730
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -25.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -272.853474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.853474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.853474 (E_RNA)
where:
Base-Base interactions energy: -180.331
where: short stacking energy: -76.795
Base-Backbone interact. energy: 2.327
local terms energy: -94.849995
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -17.581
tors. eta vs tors. theta energy: -24.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -226.700725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.700725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.700725 (E_RNA)
where:
Base-Base interactions energy: -134.073
where: short stacking energy: -64.039
Base-Backbone interact. energy: -0.169
local terms energy: -92.458504
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -22.806
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -18.724
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: 162
Temperature: 1.100000
Total energy: -189.329797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.329797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.329797 (E_RNA)
where:
Base-Base interactions energy: -107.726
where: short stacking energy: -61.604
Base-Backbone interact. energy: -1.177
local terms energy: -80.426995
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -10.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -176.965165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.965165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.965165 (E_RNA)
where:
Base-Base interactions energy: -101.407
where: short stacking energy: -54.035
Base-Backbone interact. energy: 0.458
local terms energy: -76.015545
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -9.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -127.867948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.867948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.867948 (E_RNA)
where:
Base-Base interactions energy: -59.418
where: short stacking energy: -31.100
Base-Backbone interact. energy: 0.074
local terms energy: -68.524019
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -20.151
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -108.494944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.494944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.494944 (E_RNA)
where:
Base-Base interactions energy: -47.502
where: short stacking energy: -35.044
Base-Backbone interact. energy: -0.173
local terms energy: -60.820307
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: 3.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -99.448995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.448995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.448995 (E_RNA)
where:
Base-Base interactions energy: -40.481
where: short stacking energy: -28.395
Base-Backbone interact. energy: 0.045
local terms energy: -59.012519
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: 2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -99.383939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.383939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.383939 (E_RNA)
where:
Base-Base interactions energy: -36.968
where: short stacking energy: -35.059
Base-Backbone interact. energy: 0.580
local terms energy: -62.996350
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -301.023496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.023496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.023496 (E_RNA)
where:
Base-Base interactions energy: -192.845
where: short stacking energy: -90.721
Base-Backbone interact. energy: 0.258
local terms energy: -108.436674
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -24.865
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: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -284.028768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.028768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.028768 (E_RNA)
where:
Base-Base interactions energy: -185.405
where: short stacking energy: -83.650
Base-Backbone interact. energy: -0.291
local terms energy: -98.332708
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -23.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -294.687852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.687852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.687852 (E_RNA)
where:
Base-Base interactions energy: -189.964
where: short stacking energy: -89.341
Base-Backbone interact. energy: -0.086
local terms energy: -104.637048
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -23.214
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -28.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -225.008477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.008477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.008477 (E_RNA)
where:
Base-Base interactions energy: -141.256
where: short stacking energy: -59.955
Base-Backbone interact. energy: -0.960
local terms energy: -82.791688
where:
bonds (distance) C4'-P energy: -18.461
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -9.640
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: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -172.248843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.248843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.248843 (E_RNA)
where:
Base-Base interactions energy: -95.635
where: short stacking energy: -61.836
Base-Backbone interact. energy: -0.069
local terms energy: -76.545242
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -9.438
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: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -136.790475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.790475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.790475 (E_RNA)
where:
Base-Base interactions energy: -54.826
where: short stacking energy: -54.423
Base-Backbone interact. energy: -0.090
local terms energy: -81.874688
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -20.726
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -12.747
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: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -165.781832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.781832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.781832 (E_RNA)
where:
Base-Base interactions energy: -84.223
where: short stacking energy: -43.432
Base-Backbone interact. energy: -0.601
local terms energy: -80.958295
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -15.655
tors. eta vs tors. theta energy: -10.119
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: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -110.053989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.053989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.053989 (E_RNA)
where:
Base-Base interactions energy: -33.316
where: short stacking energy: -29.856
Base-Backbone interact. energy: -0.169
local terms energy: -76.569041
where:
bonds (distance) C4'-P energy: -21.942
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -120.586071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.586071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.586071 (E_RNA)
where:
Base-Base interactions energy: -70.414
where: short stacking energy: -42.349
Base-Backbone interact. energy: -0.510
local terms energy: -49.662428
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -104.524411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.524411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.524411 (E_RNA)
where:
Base-Base interactions energy: -50.120
where: short stacking energy: -29.165
Base-Backbone interact. energy: -0.569
local terms energy: -53.835614
where:
bonds (distance) C4'-P energy: -8.714
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -1.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -298.204620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.204620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.204620 (E_RNA)
where:
Base-Base interactions energy: -194.977
where: short stacking energy: -101.368
Base-Backbone interact. energy: -0.869
local terms energy: -102.358569
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -28.303
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: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -292.546408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.546408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.546408 (E_RNA)
where:
Base-Base interactions energy: -192.182
where: short stacking energy: -89.483
Base-Backbone interact. energy: 0.449
local terms energy: -100.813144
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -21.925
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -25.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -297.166329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.166329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.166329 (E_RNA)
where:
Base-Base interactions energy: -192.652
where: short stacking energy: -95.719
Base-Backbone interact. energy: -0.040
local terms energy: -104.474353
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -23.146
flat angles P-C4'-P energy: -17.135
tors. eta vs tors. theta energy: -21.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -221.523482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.523482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.523482 (E_RNA)
where:
Base-Base interactions energy: -140.897
where: short stacking energy: -63.692
Base-Backbone interact. energy: -0.355
local terms energy: -80.271169
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -9.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -180.500821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.500821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.500821 (E_RNA)
where:
Base-Base interactions energy: -110.539
where: short stacking energy: -50.328
Base-Backbone interact. energy: -0.174
local terms energy: -69.787412
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -9.940
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: 4
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -126.912028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.912028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.912028 (E_RNA)
where:
Base-Base interactions energy: -49.986
where: short stacking energy: -47.039
Base-Backbone interact. energy: 3.655
local terms energy: -80.580518
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -15.910
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: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -116.597069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.597069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.597069 (E_RNA)
where:
Base-Base interactions energy: -47.746
where: short stacking energy: -34.578
Base-Backbone interact. energy: -0.340
local terms energy: -68.511154
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: 2.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -120.571701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.571701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.571701 (E_RNA)
where:
Base-Base interactions energy: -60.859
where: short stacking energy: -44.368
Base-Backbone interact. energy: -0.351
local terms energy: -59.361344
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -6.554
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: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -152.850094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.850094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.850094 (E_RNA)
where:
Base-Base interactions energy: -79.184
where: short stacking energy: -46.690
Base-Backbone interact. energy: -0.164
local terms energy: -73.501940
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -3.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -112.383513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.383513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.383513 (E_RNA)
where:
Base-Base interactions energy: -53.398
where: short stacking energy: -29.367
Base-Backbone interact. energy: -0.709
local terms energy: -58.276250
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: 1.672
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -293.995823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.995823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.995823 (E_RNA)
where:
Base-Base interactions energy: -187.624
where: short stacking energy: -90.231
Base-Backbone interact. energy: -0.341
local terms energy: -106.031527
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -18.621
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -26.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -288.009839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.009839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.009839 (E_RNA)
where:
Base-Base interactions energy: -184.854
where: short stacking energy: -93.630
Base-Backbone interact. energy: -0.211
local terms energy: -102.944416
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -22.406
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -23.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -277.746056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.746056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.746056 (E_RNA)
where:
Base-Base interactions energy: -182.789
where: short stacking energy: -80.257
Base-Backbone interact. energy: -0.420
local terms energy: -94.537335
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -24.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -241.371859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.371859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.371859 (E_RNA)
where:
Base-Base interactions energy: -146.971
where: short stacking energy: -78.085
Base-Backbone interact. energy: -0.157
local terms energy: -94.243974
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -19.942
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: 165
Temperature: 1.100000
Total energy: -165.677288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.677288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.677288 (E_RNA)
where:
Base-Base interactions energy: -82.894
where: short stacking energy: -55.084
Base-Backbone interact. energy: -0.204
local terms energy: -82.578767
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -12.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -163.222961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.222961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.222961 (E_RNA)
where:
Base-Base interactions energy: -80.871
where: short stacking energy: -48.131
Base-Backbone interact. energy: 0.946
local terms energy: -83.297686
where:
bonds (distance) C4'-P energy: -20.556
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -9.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -120.638451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.638451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.638451 (E_RNA)
where:
Base-Base interactions energy: -58.676
where: short stacking energy: -40.235
Base-Backbone interact. energy: 0.946
local terms energy: -62.907523
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -8.458
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: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -110.702952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.702952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.702952 (E_RNA)
where:
Base-Base interactions energy: -48.224
where: short stacking energy: -28.251
Base-Backbone interact. energy: 0.285
local terms energy: -62.763514
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: 0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -106.227808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.227808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.227808 (E_RNA)
where:
Base-Base interactions energy: -44.689
where: short stacking energy: -36.000
Base-Backbone interact. energy: -0.973
local terms energy: -60.565386
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -138.253410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.253410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.253410 (E_RNA)
where:
Base-Base interactions energy: -69.786
where: short stacking energy: -43.776
Base-Backbone interact. energy: -0.321
local terms energy: -68.146186
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -300.277449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.277449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.277449 (E_RNA)
where:
Base-Base interactions energy: -197.201
where: short stacking energy: -83.498
Base-Backbone interact. energy: -1.269
local terms energy: -101.807516
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -24.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -278.704973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.704973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.704973 (E_RNA)
where:
Base-Base interactions energy: -181.938
where: short stacking energy: -86.399
Base-Backbone interact. energy: -1.062
local terms energy: -95.704263
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -25.760
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: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -244.784820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.784820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.784820 (E_RNA)
where:
Base-Base interactions energy: -141.090
where: short stacking energy: -67.557
Base-Backbone interact. energy: -0.876
local terms energy: -102.818660
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -24.879
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -21.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -266.840564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.840564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.840564 (E_RNA)
where:
Base-Base interactions energy: -179.686
where: short stacking energy: -78.382
Base-Backbone interact. energy: -0.459
local terms energy: -86.695170
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -22.004
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -19.237
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: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -187.975847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.975847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.975847 (E_RNA)
where:
Base-Base interactions energy: -109.910
where: short stacking energy: -61.703
Base-Backbone interact. energy: -0.456
local terms energy: -77.609720
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -153.963311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.963311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.963311 (E_RNA)
where:
Base-Base interactions energy: -69.217
where: short stacking energy: -49.284
Base-Backbone interact. energy: -0.740
local terms energy: -84.006394
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -21.684
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -13.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -110.680991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.680991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.680991 (E_RNA)
where:
Base-Base interactions energy: -36.279
where: short stacking energy: -27.662
Base-Backbone interact. energy: -0.654
local terms energy: -73.748671
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -5.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -111.549230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.549230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.549230 (E_RNA)
where:
Base-Base interactions energy: -45.160
where: short stacking energy: -36.195
Base-Backbone interact. energy: -0.195
local terms energy: -66.193593
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -6.969
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: 166
Temperature: 1.300000
Total energy: -111.456445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.456445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.456445 (E_RNA)
where:
Base-Base interactions energy: -39.683
where: short stacking energy: -39.280
Base-Backbone interact. energy: -0.022
local terms energy: -71.750788
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -10.474
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: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -116.319941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.319941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.319941 (E_RNA)
where:
Base-Base interactions energy: -63.853
where: short stacking energy: -41.522
Base-Backbone interact. energy: -0.366
local terms energy: -52.101601
where:
bonds (distance) C4'-P energy: -9.331
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -5.337
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -318.503692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.503692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.503692 (E_RNA)
where:
Base-Base interactions energy: -210.169
where: short stacking energy: -103.694
Base-Backbone interact. energy: -0.274
local terms energy: -108.060939
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: -25.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -289.952398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.952398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.952398 (E_RNA)
where:
Base-Base interactions energy: -192.513
where: short stacking energy: -93.451
Base-Backbone interact. energy: -0.132
local terms energy: -97.307084
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -16.630
tors. eta vs tors. theta energy: -23.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -237.922735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.922735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.922735 (E_RNA)
where:
Base-Base interactions energy: -156.574
where: short stacking energy: -78.809
Base-Backbone interact. energy: -0.180
local terms energy: -81.169113
where:
bonds (distance) C4'-P energy: -20.952
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -19.520
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: 167
Temperature: 1.050000
Total energy: -250.130391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.130391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.130391 (E_RNA)
where:
Base-Base interactions energy: -159.520
where: short stacking energy: -72.713
Base-Backbone interact. energy: 5.553
local terms energy: -96.163267
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -23.410
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -188.055208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.055208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.055208 (E_RNA)
where:
Base-Base interactions energy: -96.761
where: short stacking energy: -60.501
Base-Backbone interact. energy: -1.119
local terms energy: -90.174803
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -24.575
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -20.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -147.610894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.610894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.610894 (E_RNA)
where:
Base-Base interactions energy: -83.241
where: short stacking energy: -49.718
Base-Backbone interact. energy: -0.225
local terms energy: -64.144765
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -9.507
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: 7, replica: 8
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -163.692179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.692179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.692179 (E_RNA)
where:
Base-Base interactions energy: -82.363
where: short stacking energy: -54.521
Base-Backbone interact. energy: -0.263
local terms energy: -81.066840
where:
bonds (distance) C4'-P energy: -21.428
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -8.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -103.377723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.377723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.377723 (E_RNA)
where:
Base-Base interactions energy: -42.460
where: short stacking energy: -38.419
Base-Backbone interact. energy: 0.869
local terms energy: -61.787185
where:
bonds (distance) C4'-P energy: -20.365
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -102.071792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.071792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.071792 (E_RNA)
where:
Base-Base interactions energy: -36.785
where: short stacking energy: -25.599
Base-Backbone interact. energy: -1.336
local terms energy: -63.950743
where:
bonds (distance) C4'-P energy: -19.529
bonds (distance) P-C4' energy: -19.737
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -104.947974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.947974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.947974 (E_RNA)
where:
Base-Base interactions energy: -35.598
where: short stacking energy: -34.933
Base-Backbone interact. energy: -1.367
local terms energy: -67.983223
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -20.426
flat angles P-C4'-P energy: -8.786
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -311.243795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.243795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.243795 (E_RNA)
where:
Base-Base interactions energy: -209.383
where: short stacking energy: -98.573
Base-Backbone interact. energy: -0.137
local terms energy: -101.723598
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -24.499
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -23.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -293.168749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.168749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.168749 (E_RNA)
where:
Base-Base interactions energy: -193.343
where: short stacking energy: -94.021
Base-Backbone interact. energy: -0.654
local terms energy: -99.172269
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -24.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -250.470722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.470722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.470722 (E_RNA)
where:
Base-Base interactions energy: -160.297
where: short stacking energy: -81.289
Base-Backbone interact. energy: 0.097
local terms energy: -90.270774
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -248.274289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.274289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.274289 (E_RNA)
where:
Base-Base interactions energy: -157.823
where: short stacking energy: -82.903
Base-Backbone interact. energy: -0.019
local terms energy: -90.432897
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -14.139
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: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -164.081575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.081575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.081575 (E_RNA)
where:
Base-Base interactions energy: -81.833
where: short stacking energy: -47.296
Base-Backbone interact. energy: -1.425
local terms energy: -80.822932
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -11.502
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: 1
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -162.179477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.179477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.179477 (E_RNA)
where:
Base-Base interactions energy: -82.947
where: short stacking energy: -48.398
Base-Backbone interact. energy: -0.542
local terms energy: -78.690955
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -121.298292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.298292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.298292 (E_RNA)
where:
Base-Base interactions energy: -64.189
where: short stacking energy: -50.473
Base-Backbone interact. energy: -0.077
local terms energy: -57.031665
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -167.493798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.493798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.493798 (E_RNA)
where:
Base-Base interactions energy: -91.355
where: short stacking energy: -55.431
Base-Backbone interact. energy: -0.777
local terms energy: -75.361515
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -7.248
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: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -99.694699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.694699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.694699 (E_RNA)
where:
Base-Base interactions energy: -38.549
where: short stacking energy: -32.682
Base-Backbone interact. energy: -0.252
local terms energy: -60.893449
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -21.452
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: 2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -105.335826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.335826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.335826 (E_RNA)
where:
Base-Base interactions energy: -45.058
where: short stacking energy: -45.058
Base-Backbone interact. energy: -0.194
local terms energy: -60.084507
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -5.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -308.914775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.914775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.914775 (E_RNA)
where:
Base-Base interactions energy: -206.271
where: short stacking energy: -96.541
Base-Backbone interact. energy: -0.067
local terms energy: -102.576185
where:
bonds (distance) C4'-P energy: -20.382
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -22.384
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -25.358
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: 5
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -294.375543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.375543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.375543 (E_RNA)
where:
Base-Base interactions energy: -186.491
where: short stacking energy: -94.054
Base-Backbone interact. energy: -1.062
local terms energy: -106.822209
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -26.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -287.332883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.332883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.332883 (E_RNA)
where:
Base-Base interactions energy: -185.794
where: short stacking energy: -90.664
Base-Backbone interact. energy: -0.081
local terms energy: -101.457890
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -24.340
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -28.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -245.957391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.957391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.957391 (E_RNA)
where:
Base-Base interactions energy: -155.531
where: short stacking energy: -83.213
Base-Backbone interact. energy: -0.281
local terms energy: -90.144971
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -22.653
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -21.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -196.167786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.167786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.167786 (E_RNA)
where:
Base-Base interactions energy: -105.606
where: short stacking energy: -61.469
Base-Backbone interact. energy: -0.902
local terms energy: -89.659758
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -21.541
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -143.126412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.126412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.126412 (E_RNA)
where:
Base-Base interactions energy: -77.423
where: short stacking energy: -43.600
Base-Backbone interact. energy: -0.105
local terms energy: -65.598636
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -19.370
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -2.224
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: 1
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -112.758132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.758132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.758132 (E_RNA)
where:
Base-Base interactions energy: -50.747
where: short stacking energy: -37.559
Base-Backbone interact. energy: -0.596
local terms energy: -61.415102
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -1.460
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: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -139.911663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.911663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.911663 (E_RNA)
where:
Base-Base interactions energy: -74.383
where: short stacking energy: -40.483
Base-Backbone interact. energy: -0.044
local terms energy: -65.485377
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -21.198
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -5.787
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: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -111.611862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.611862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.611862 (E_RNA)
where:
Base-Base interactions energy: -40.519
where: short stacking energy: -35.270
Base-Backbone interact. energy: -0.322
local terms energy: -70.771181
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -7.019
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: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -98.776864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.776864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.776864 (E_RNA)
where:
Base-Base interactions energy: -30.885
where: short stacking energy: -28.256
Base-Backbone interact. energy: -0.978
local terms energy: -66.914482
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -10.002
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -308.195836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.195836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.195836 (E_RNA)
where:
Base-Base interactions energy: -212.925
where: short stacking energy: -90.359
Base-Backbone interact. energy: -0.291
local terms energy: -94.980501
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -19.373
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -23.489
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: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -287.994838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.994838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.994838 (E_RNA)
where:
Base-Base interactions energy: -189.925
where: short stacking energy: -91.058
Base-Backbone interact. energy: 1.582
local terms energy: -99.651505
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -20.839
flat angles C4'-P-C4' energy: -17.775
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -24.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -285.392971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.392971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.392971 (E_RNA)
where:
Base-Base interactions energy: -190.450
where: short stacking energy: -83.428
Base-Backbone interact. energy: -0.110
local terms energy: -94.833438
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -21.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -241.492289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.492289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.492289 (E_RNA)
where:
Base-Base interactions energy: -153.074
where: short stacking energy: -68.898
Base-Backbone interact. energy: -1.104
local terms energy: -87.313701
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -160.762438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.762438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.762438 (E_RNA)
where:
Base-Base interactions energy: -83.115
where: short stacking energy: -49.379
Base-Backbone interact. energy: -0.547
local terms energy: -77.101085
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -184.681769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.681769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.681769 (E_RNA)
where:
Base-Base interactions energy: -93.781
where: short stacking energy: -46.011
Base-Backbone interact. energy: -0.230
local terms energy: -90.670391
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -17.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -189.343418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.343418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.343418 (E_RNA)
where:
Base-Base interactions energy: -108.210
where: short stacking energy: -58.942
Base-Backbone interact. energy: -0.585
local terms energy: -80.548432
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -20.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -110.689627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.689627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.689627 (E_RNA)
where:
Base-Base interactions energy: -42.760
where: short stacking energy: -41.297
Base-Backbone interact. energy: -0.316
local terms energy: -67.612960
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -4.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -101.437241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.437241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.437241 (E_RNA)
where:
Base-Base interactions energy: -42.356
where: short stacking energy: -33.040
Base-Backbone interact. energy: -0.449
local terms energy: -58.632265
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: 2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -95.934107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.934107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.934107 (E_RNA)
where:
Base-Base interactions energy: -40.039
where: short stacking energy: -24.208
Base-Backbone interact. energy: -0.365
local terms energy: -55.529247
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: 2.466
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -306.641673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.641673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.641673 (E_RNA)
where:
Base-Base interactions energy: -207.098
where: short stacking energy: -88.499
Base-Backbone interact. energy: -0.494
local terms energy: -99.049922
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -21.034
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -27.612
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: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -302.182522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.182522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.182522 (E_RNA)
where:
Base-Base interactions energy: -201.496
where: short stacking energy: -89.104
Base-Backbone interact. energy: -0.273
local terms energy: -100.413632
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -22.304
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -26.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -277.296997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.296997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.296997 (E_RNA)
where:
Base-Base interactions energy: -174.807
where: short stacking energy: -84.434
Base-Backbone interact. energy: -0.058
local terms energy: -102.432034
where:
bonds (distance) C4'-P energy: -23.632
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -22.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -242.603922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.603922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.603922 (E_RNA)
where:
Base-Base interactions energy: -149.902
where: short stacking energy: -77.467
Base-Backbone interact. energy: -0.011
local terms energy: -92.690938
where:
bonds (distance) C4'-P energy: -21.959
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -22.878
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -18.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -160.105747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.105747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.105747 (E_RNA)
where:
Base-Base interactions energy: -81.337
where: short stacking energy: -67.319
Base-Backbone interact. energy: -0.007
local terms energy: -78.761079
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -12.491
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: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -186.712542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.712542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.712542 (E_RNA)
where:
Base-Base interactions energy: -107.126
where: short stacking energy: -59.826
Base-Backbone interact. energy: -0.701
local terms energy: -78.886279
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -13.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -153.452322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.452322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.452322 (E_RNA)
where:
Base-Base interactions energy: -79.757
where: short stacking energy: -52.567
Base-Backbone interact. energy: -0.502
local terms energy: -73.193000
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -12.552
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: 8, replica: 1
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -120.249761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.249761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.249761 (E_RNA)
where:
Base-Base interactions energy: -42.509
where: short stacking energy: -29.107
Base-Backbone interact. energy: -0.077
local terms energy: -77.664158
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -118.005192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.005192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.005192 (E_RNA)
where:
Base-Base interactions energy: -44.263
where: short stacking energy: -44.109
Base-Backbone interact. energy: -0.438
local terms energy: -73.304210
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -7.907
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: 171
Temperature: 1.350000
Total energy: -97.963109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.963109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.963109 (E_RNA)
where:
Base-Base interactions energy: -31.549
where: short stacking energy: -25.747
Base-Backbone interact. energy: -0.253
local terms energy: -66.161391
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -304.536348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.536348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.536348 (E_RNA)
where:
Base-Base interactions energy: -198.988
where: short stacking energy: -88.716
Base-Backbone interact. energy: -0.054
local terms energy: -105.493518
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -27.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -300.922099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.922099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.922099 (E_RNA)
where:
Base-Base interactions energy: -202.079
where: short stacking energy: -89.884
Base-Backbone interact. energy: -1.084
local terms energy: -97.758494
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -26.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -269.975276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.975276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.975276 (E_RNA)
where:
Base-Base interactions energy: -167.940
where: short stacking energy: -84.765
Base-Backbone interact. energy: -0.471
local terms energy: -101.564157
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -23.790
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -23.872
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: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -245.009343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.009343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.009343 (E_RNA)
where:
Base-Base interactions energy: -149.921
where: short stacking energy: -73.933
Base-Backbone interact. energy: -0.117
local terms energy: -94.971420
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -22.824
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -192.147603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.147603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.147603 (E_RNA)
where:
Base-Base interactions energy: -111.521
where: short stacking energy: -59.908
Base-Backbone interact. energy: 0.383
local terms energy: -81.008822
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -13.541
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: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -134.421142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.421142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.421142 (E_RNA)
where:
Base-Base interactions energy: -60.304
where: short stacking energy: -51.627
Base-Backbone interact. energy: 0.093
local terms energy: -74.210319
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -8.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -116.257045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.257045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.257045 (E_RNA)
where:
Base-Base interactions energy: -45.981
where: short stacking energy: -44.033
Base-Backbone interact. energy: 0.545
local terms energy: -70.820607
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -7.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -161.086440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.086440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.086440 (E_RNA)
where:
Base-Base interactions energy: -86.657
where: short stacking energy: -56.526
Base-Backbone interact. energy: 0.960
local terms energy: -75.390000
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -9.480
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: 9, replica: 4
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -96.641006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.641006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.641006 (E_RNA)
where:
Base-Base interactions energy: -34.481
where: short stacking energy: -33.072
Base-Backbone interact. energy: -0.351
local terms energy: -61.808584
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -2.045
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: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -97.704175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.704175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.704175 (E_RNA)
where:
Base-Base interactions energy: -29.973
where: short stacking energy: -28.964
Base-Backbone interact. energy: -0.651
local terms energy: -67.080512
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -4.752
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -308.929273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.929273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.929273 (E_RNA)
where:
Base-Base interactions energy: -205.909
where: short stacking energy: -92.337
Base-Backbone interact. energy: -0.148
local terms energy: -102.871861
where:
bonds (distance) C4'-P energy: -19.843
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -23.956
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: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -287.713098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.713098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.713098 (E_RNA)
where:
Base-Base interactions energy: -187.494
where: short stacking energy: -78.917
Base-Backbone interact. energy: -0.061
local terms energy: -100.158591
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -18.636
tors. eta vs tors. theta energy: -23.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -262.580900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.580900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.580900 (E_RNA)
where:
Base-Base interactions energy: -175.980
where: short stacking energy: -93.443
Base-Backbone interact. energy: 0.500
local terms energy: -87.100945
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -24.029
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: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -237.204205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.204205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.204205 (E_RNA)
where:
Base-Base interactions energy: -163.534
where: short stacking energy: -79.718
Base-Backbone interact. energy: -0.355
local terms energy: -73.314773
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -15.656
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: 5, replica: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -197.475384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.475384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.475384 (E_RNA)
where:
Base-Base interactions energy: -107.191
where: short stacking energy: -73.978
Base-Backbone interact. energy: -0.630
local terms energy: -89.654920
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -20.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -144.785728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.785728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.785728 (E_RNA)
where:
Base-Base interactions energy: -52.965
where: short stacking energy: -39.380
Base-Backbone interact. energy: -0.480
local terms energy: -91.340635
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -14.160
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: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -132.044811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.044811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.044811 (E_RNA)
where:
Base-Base interactions energy: -69.690
where: short stacking energy: -26.437
Base-Backbone interact. energy: -0.509
local terms energy: -61.845572
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: 3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -115.635169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.635169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.635169 (E_RNA)
where:
Base-Base interactions energy: -46.773
where: short stacking energy: -41.048
Base-Backbone interact. energy: -0.320
local terms energy: -68.541790
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -124.616731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.616731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.616731 (E_RNA)
where:
Base-Base interactions energy: -68.133
where: short stacking energy: -48.656
Base-Backbone interact. energy: -0.292
local terms energy: -56.191559
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -8.177
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -8.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -104.789847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.789847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.789847 (E_RNA)
where:
Base-Base interactions energy: -42.199
where: short stacking energy: -34.523
Base-Backbone interact. energy: 0.652
local terms energy: -63.243341
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -5.535
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -305.985364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.985364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.985364 (E_RNA)
where:
Base-Base interactions energy: -198.093
where: short stacking energy: -96.809
Base-Backbone interact. energy: -0.994
local terms energy: -106.898296
where:
bonds (distance) C4'-P energy: -19.769
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -24.705
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -26.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -296.225665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.225665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.225665 (E_RNA)
where:
Base-Base interactions energy: -194.579
where: short stacking energy: -92.443
Base-Backbone interact. energy: -1.057
local terms energy: -100.590027
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -26.757
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: 9
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -258.192642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.192642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.192642 (E_RNA)
where:
Base-Base interactions energy: -178.465
where: short stacking energy: -78.658
Base-Backbone interact. energy: 0.609
local terms energy: -80.335657
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -267.267628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.267628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.267628 (E_RNA)
where:
Base-Base interactions energy: -171.585
where: short stacking energy: -85.545
Base-Backbone interact. energy: -0.374
local terms energy: -95.308820
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -24.438
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -174.095086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.095086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.095086 (E_RNA)
where:
Base-Base interactions energy: -100.332
where: short stacking energy: -65.339
Base-Backbone interact. energy: -0.416
local terms energy: -73.347187
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -11.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -116.801777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.801777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.801777 (E_RNA)
where:
Base-Base interactions energy: -40.267
where: short stacking energy: -31.756
Base-Backbone interact. energy: -0.210
local terms energy: -76.325358
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -22.917
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -151.035042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.035042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.035042 (E_RNA)
where:
Base-Base interactions energy: -76.721
where: short stacking energy: -48.467
Base-Backbone interact. energy: -0.235
local terms energy: -74.079019
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -11.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -128.892192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.892192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.892192 (E_RNA)
where:
Base-Base interactions energy: -58.602
where: short stacking energy: -31.307
Base-Backbone interact. energy: -0.254
local terms energy: -70.035251
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -5.639
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: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -98.690959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.690959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.690959 (E_RNA)
where:
Base-Base interactions energy: -33.761
where: short stacking energy: -22.244
Base-Backbone interact. energy: -0.530
local terms energy: -64.399851
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: 0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -108.076151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.076151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.076151 (E_RNA)
where:
Base-Base interactions energy: -37.371
where: short stacking energy: -37.371
Base-Backbone interact. energy: -0.133
local terms energy: -70.571513
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -304.752887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.752887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.752887 (E_RNA)
where:
Base-Base interactions energy: -202.789
where: short stacking energy: -84.054
Base-Backbone interact. energy: -0.227
local terms energy: -101.736897
where:
bonds (distance) C4'-P energy: -22.484
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -24.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -300.231471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.231471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.231471 (E_RNA)
where:
Base-Base interactions energy: -197.836
where: short stacking energy: -94.148
Base-Backbone interact. energy: -0.348
local terms energy: -102.047885
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -20.346
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -24.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -274.232429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.232429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.232429 (E_RNA)
where:
Base-Base interactions energy: -179.889
where: short stacking energy: -87.279
Base-Backbone interact. energy: 2.540
local terms energy: -96.883246
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -23.164
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: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -278.170589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.170589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.170589 (E_RNA)
where:
Base-Base interactions energy: -188.879
where: short stacking energy: -85.617
Base-Backbone interact. energy: -0.043
local terms energy: -89.248512
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -181.824204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.824204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.824204 (E_RNA)
where:
Base-Base interactions energy: -94.614
where: short stacking energy: -59.575
Base-Backbone interact. energy: -0.221
local terms energy: -86.989209
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -15.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -121.381338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.381338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.381338 (E_RNA)
where:
Base-Base interactions energy: -50.412
where: short stacking energy: -44.148
Base-Backbone interact. energy: -0.827
local terms energy: -70.142861
where:
bonds (distance) C4'-P energy: -21.528
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -5.577
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: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -151.797408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.797408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.797408 (E_RNA)
where:
Base-Base interactions energy: -79.601
where: short stacking energy: -39.032
Base-Backbone interact. energy: -1.031
local terms energy: -71.165448
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -10.194
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: 175
Temperature: 1.250000
Total energy: -133.610889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.610889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.610889 (E_RNA)
where:
Base-Base interactions energy: -54.634
where: short stacking energy: -47.079
Base-Backbone interact. energy: 0.204
local terms energy: -79.180987
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -8.158
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: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -111.285091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.285091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.285091 (E_RNA)
where:
Base-Base interactions energy: -47.425
where: short stacking energy: -47.151
Base-Backbone interact. energy: -0.308
local terms energy: -63.551950
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -19.805
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -5.348
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: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -103.387236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.387236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.387236 (E_RNA)
where:
Base-Base interactions energy: -31.034
where: short stacking energy: -31.034
Base-Backbone interact. energy: -0.464
local terms energy: -71.889194
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -303.715436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.715436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.715436 (E_RNA)
where:
Base-Base interactions energy: -201.518
where: short stacking energy: -87.627
Base-Backbone interact. energy: -0.289
local terms energy: -101.908070
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -22.759
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -23.087
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: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -296.823194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.823194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.823194 (E_RNA)
where:
Base-Base interactions energy: -197.184
where: short stacking energy: -92.586
Base-Backbone interact. energy: -0.325
local terms energy: -99.314088
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -23.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -279.860147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.860147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.860147 (E_RNA)
where:
Base-Base interactions energy: -187.364
where: short stacking energy: -84.467
Base-Backbone interact. energy: 1.835
local terms energy: -94.330403
where:
bonds (distance) C4'-P energy: -19.313
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -18.733
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: 176
Temperature: 1.050000
Total energy: -263.339313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.339313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.339313 (E_RNA)
where:
Base-Base interactions energy: -166.527
where: short stacking energy: -85.975
Base-Backbone interact. energy: -0.036
local terms energy: -96.776032
where:
bonds (distance) C4'-P energy: -23.333
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -194.382707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.382707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.382707 (E_RNA)
where:
Base-Base interactions energy: -105.747
where: short stacking energy: -72.140
Base-Backbone interact. energy: -0.400
local terms energy: -88.235276
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -19.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -122.741080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.741080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.741080 (E_RNA)
where:
Base-Base interactions energy: -48.155
where: short stacking energy: -43.955
Base-Backbone interact. energy: 0.182
local terms energy: -74.768554
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -151.414930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.414930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.414930 (E_RNA)
where:
Base-Base interactions energy: -80.830
where: short stacking energy: -49.544
Base-Backbone interact. energy: -0.168
local terms energy: -70.416759
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -3.356
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: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -122.688472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.688472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.688472 (E_RNA)
where:
Base-Base interactions energy: -49.268
where: short stacking energy: -44.339
Base-Backbone interact. energy: -0.058
local terms energy: -73.363073
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -20.841
flat angles P-C4'-P energy: -10.410
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: 3
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -124.048795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.048795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.048795 (E_RNA)
where:
Base-Base interactions energy: -58.219
where: short stacking energy: -42.916
Base-Backbone interact. energy: -0.557
local terms energy: -65.272615
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -6.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -98.827478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.827478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.827478 (E_RNA)
where:
Base-Base interactions energy: -49.342
where: short stacking energy: -35.305
Base-Backbone interact. energy: -0.247
local terms energy: -49.238747
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -8.488
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: 1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -301.780354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.780354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.780354 (E_RNA)
where:
Base-Base interactions energy: -192.852
where: short stacking energy: -91.751
Base-Backbone interact. energy: -0.101
local terms energy: -108.827164
where:
bonds (distance) C4'-P energy: -20.639
bonds (distance) P-C4' energy: -24.307
flat angles C4'-P-C4' energy: -21.095
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: -27.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -293.373014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.373014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.373014 (E_RNA)
where:
Base-Base interactions energy: -196.635
where: short stacking energy: -94.095
Base-Backbone interact. energy: -0.653
local terms energy: -96.085359
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -22.361
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: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -281.327528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.327528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.327528 (E_RNA)
where:
Base-Base interactions energy: -183.934
where: short stacking energy: -80.968
Base-Backbone interact. energy: -0.021
local terms energy: -97.372409
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -266.592424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.592424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.592424 (E_RNA)
where:
Base-Base interactions energy: -176.220
where: short stacking energy: -85.514
Base-Backbone interact. energy: -0.054
local terms energy: -90.318821
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -24.779
flat angles P-C4'-P energy: -11.854
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: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -183.851696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.851696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.851696 (E_RNA)
where:
Base-Base interactions energy: -107.987
where: short stacking energy: -63.891
Base-Backbone interact. energy: -0.206
local terms energy: -75.658489
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -160.442549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.442549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.442549 (E_RNA)
where:
Base-Base interactions energy: -85.741
where: short stacking energy: -55.768
Base-Backbone interact. energy: -0.015
local terms energy: -74.686531
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -10.559
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: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -143.809019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.809019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.809019 (E_RNA)
where:
Base-Base interactions energy: -51.888
where: short stacking energy: -49.609
Base-Backbone interact. energy: -0.152
local terms energy: -91.769598
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -24.248
flat angles P-C4'-P energy: -17.586
tors. eta vs tors. theta energy: -11.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -101.924348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.924348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.924348 (E_RNA)
where:
Base-Base interactions energy: -42.081
where: short stacking energy: -33.409
Base-Backbone interact. energy: -0.394
local terms energy: -59.449032
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -18.335
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -98.354777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.354777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.354777 (E_RNA)
where:
Base-Base interactions energy: -48.644
where: short stacking energy: -28.540
Base-Backbone interact. energy: -0.413
local terms energy: -49.297758
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -9.482
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: 2.674
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: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -95.501651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.501651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.501651 (E_RNA)
where:
Base-Base interactions energy: -28.733
where: short stacking energy: -25.547
Base-Backbone interact. energy: 0.638
local terms energy: -67.406496
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -291.080413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.080413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.080413 (E_RNA)
where:
Base-Base interactions energy: -197.781
where: short stacking energy: -94.076
Base-Backbone interact. energy: -0.061
local terms energy: -93.238430
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -21.125
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: 6
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -291.245548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.245548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.245548 (E_RNA)
where:
Base-Base interactions energy: -194.271
where: short stacking energy: -92.349
Base-Backbone interact. energy: -0.330
local terms energy: -96.644904
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -18.701
tors. eta vs tors. theta energy: -23.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -285.509477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.509477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.509477 (E_RNA)
where:
Base-Base interactions energy: -196.002
where: short stacking energy: -82.175
Base-Backbone interact. energy: -0.123
local terms energy: -89.384369
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -20.780
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: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -257.336546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.336546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.336546 (E_RNA)
where:
Base-Base interactions energy: -166.959
where: short stacking energy: -87.269
Base-Backbone interact. energy: -0.117
local terms energy: -90.260041
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -19.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -185.372348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.372348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.372348 (E_RNA)
where:
Base-Base interactions energy: -109.009
where: short stacking energy: -68.727
Base-Backbone interact. energy: -0.523
local terms energy: -75.840067
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -14.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -175.027758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.027758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.027758 (E_RNA)
where:
Base-Base interactions energy: -102.428
where: short stacking energy: -53.290
Base-Backbone interact. energy: -1.103
local terms energy: -71.496448
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -19.955
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -115.501144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.501144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.501144 (E_RNA)
where:
Base-Base interactions energy: -49.517
where: short stacking energy: -45.862
Base-Backbone interact. energy: -0.308
local terms energy: -65.675977
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -2.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -108.992957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.992957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.992957 (E_RNA)
where:
Base-Base interactions energy: -42.913
where: short stacking energy: -42.593
Base-Backbone interact. energy: -0.360
local terms energy: -65.720235
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -94.736053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.736053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.736053 (E_RNA)
where:
Base-Base interactions energy: -35.933
where: short stacking energy: -26.621
Base-Backbone interact. energy: -0.268
local terms energy: -58.535864
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -101.845021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.845021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.845021 (E_RNA)
where:
Base-Base interactions energy: -41.036
where: short stacking energy: -39.868
Base-Backbone interact. energy: -0.084
local terms energy: -60.725792
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -300.618506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.618506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.618506 (E_RNA)
where:
Base-Base interactions energy: -206.802
where: short stacking energy: -92.772
Base-Backbone interact. energy: -1.011
local terms energy: -92.805476
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -26.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -303.739960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.739960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.739960 (E_RNA)
where:
Base-Base interactions energy: -202.055
where: short stacking energy: -92.549
Base-Backbone interact. energy: -0.125
local terms energy: -101.559743
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -23.938
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -285.153581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.153581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.153581 (E_RNA)
where:
Base-Base interactions energy: -184.266
where: short stacking energy: -88.732
Base-Backbone interact. energy: -1.151
local terms energy: -99.736657
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -23.226
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -23.626
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: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -226.918973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.918973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.918973 (E_RNA)
where:
Base-Base interactions energy: -152.863
where: short stacking energy: -70.429
Base-Backbone interact. energy: -0.618
local terms energy: -73.437522
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -12.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -258.532768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.532768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.532768 (E_RNA)
where:
Base-Base interactions energy: -163.836
where: short stacking energy: -80.389
Base-Backbone interact. energy: -0.448
local terms energy: -94.248785
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -21.391
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -17.928
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: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -162.112800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.112800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.112800 (E_RNA)
where:
Base-Base interactions energy: -78.893
where: short stacking energy: -53.793
Base-Backbone interact. energy: -0.709
local terms energy: -82.510405
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -15.952
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: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -116.206652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.206652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.206652 (E_RNA)
where:
Base-Base interactions energy: -55.777
where: short stacking energy: -49.143
Base-Backbone interact. energy: -0.430
local terms energy: -59.999840
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -3.606
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: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -111.204004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.204004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.204004 (E_RNA)
where:
Base-Base interactions energy: -44.316
where: short stacking energy: -34.885
Base-Backbone interact. energy: -0.702
local terms energy: -66.186156
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -8.580
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: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -107.489384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.489384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.489384 (E_RNA)
where:
Base-Base interactions energy: -43.682
where: short stacking energy: -30.654
Base-Backbone interact. energy: -0.898
local terms energy: -62.909231
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -104.550804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.550804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.550804 (E_RNA)
where:
Base-Base interactions energy: -41.641
where: short stacking energy: -29.211
Base-Backbone interact. energy: -0.491
local terms energy: -62.418701
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: 2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -311.754939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.754939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.754939 (E_RNA)
where:
Base-Base interactions energy: -209.760
where: short stacking energy: -98.510
Base-Backbone interact. energy: -0.405
local terms energy: -101.589474
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -17.870
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -17.865
tors. eta vs tors. theta energy: -25.494
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: 180
Temperature: 0.950000
Total energy: -296.342297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.342297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.342297 (E_RNA)
where:
Base-Base interactions energy: -193.741
where: short stacking energy: -87.351
Base-Backbone interact. energy: -0.029
local terms energy: -102.572261
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -22.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -283.788149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.788149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.788149 (E_RNA)
where:
Base-Base interactions energy: -182.357
where: short stacking energy: -77.061
Base-Backbone interact. energy: -0.395
local terms energy: -101.036417
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -23.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -201.835881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.835881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.835881 (E_RNA)
where:
Base-Base interactions energy: -120.749
where: short stacking energy: -57.342
Base-Backbone interact. energy: 0.579
local terms energy: -81.666199
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -10.411
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: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -246.559809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.559809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.559809 (E_RNA)
where:
Base-Base interactions energy: -150.689
where: short stacking energy: -73.731
Base-Backbone interact. energy: -0.749
local terms energy: -95.121657
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -23.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -177.980590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.980590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.980590 (E_RNA)
where:
Base-Base interactions energy: -93.447
where: short stacking energy: -53.272
Base-Backbone interact. energy: -1.134
local terms energy: -83.399179
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -21.043
flat angles P-C4'-P energy: -13.056
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: 7, replica: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -128.833763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.833763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.833763 (E_RNA)
where:
Base-Base interactions energy: -64.840
where: short stacking energy: -42.308
Base-Backbone interact. energy: -0.496
local terms energy: -63.497285
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -8.931
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: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -155.286287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.286287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.286287 (E_RNA)
where:
Base-Base interactions energy: -76.728
where: short stacking energy: -52.839
Base-Backbone interact. energy: -0.292
local terms energy: -78.266657
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -10.376
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: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -119.367585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.367585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.367585 (E_RNA)
where:
Base-Base interactions energy: -43.750
where: short stacking energy: -41.622
Base-Backbone interact. energy: -0.002
local terms energy: -75.616302
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -7.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -103.821796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.821796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.821796 (E_RNA)
where:
Base-Base interactions energy: -35.909
where: short stacking energy: -33.201
Base-Backbone interact. energy: -0.043
local terms energy: -67.870086
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -298.101179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.101179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.101179 (E_RNA)
where:
Base-Base interactions energy: -197.268
where: short stacking energy: -83.248
Base-Backbone interact. energy: -0.055
local terms energy: -100.778189
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -23.884
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -26.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -302.940833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.940833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.940833 (E_RNA)
where:
Base-Base interactions energy: -196.782
where: short stacking energy: -94.953
Base-Backbone interact. energy: -0.606
local terms energy: -105.552647
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -18.251
tors. eta vs tors. theta energy: -20.620
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: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -276.865732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.865732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.865732 (E_RNA)
where:
Base-Base interactions energy: -179.162
where: short stacking energy: -78.770
Base-Backbone interact. energy: -1.216
local terms energy: -96.487684
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -24.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -253.172151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.172151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.172151 (E_RNA)
where:
Base-Base interactions energy: -166.195
where: short stacking energy: -76.343
Base-Backbone interact. energy: -0.498
local terms energy: -86.479318
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -18.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -196.391853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.391853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.391853 (E_RNA)
where:
Base-Base interactions energy: -110.157
where: short stacking energy: -60.007
Base-Backbone interact. energy: -0.464
local terms energy: -85.770377
where:
bonds (distance) C4'-P energy: -20.965
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -149.544082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.544082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.544082 (E_RNA)
where:
Base-Base interactions energy: -72.706
where: short stacking energy: -37.971
Base-Backbone interact. energy: -0.382
local terms energy: -76.455720
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -161.344928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.344928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.344928 (E_RNA)
where:
Base-Base interactions energy: -84.677
where: short stacking energy: -44.397
Base-Backbone interact. energy: -0.361
local terms energy: -76.307514
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -8.759
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: 8, replica: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -104.564604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.564604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.564604 (E_RNA)
where:
Base-Base interactions energy: -43.204
where: short stacking energy: -41.685
Base-Backbone interact. energy: -0.411
local terms energy: -60.949126
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -3.574
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: 181
Temperature: 1.300000
Total energy: -117.280808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.280808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.280808 (E_RNA)
where:
Base-Base interactions energy: -47.458
where: short stacking energy: -41.382
Base-Backbone interact. energy: -0.079
local terms energy: -69.743780
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -92.127966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.127966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.127966 (E_RNA)
where:
Base-Base interactions energy: -33.056
where: short stacking energy: -32.674
Base-Backbone interact. energy: 1.662
local terms energy: -60.734513
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: 0.543
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -309.498070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.498070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.498070 (E_RNA)
where:
Base-Base interactions energy: -205.682
where: short stacking energy: -92.174
Base-Backbone interact. energy: -0.125
local terms energy: -103.691089
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -21.047
flat angles C4'-P-C4' energy: -22.791
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -25.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -297.831137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.831137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.831137 (E_RNA)
where:
Base-Base interactions energy: -200.829
where: short stacking energy: -92.465
Base-Backbone interact. energy: -1.032
local terms energy: -95.969679
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -22.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -288.456021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.456021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.456021 (E_RNA)
where:
Base-Base interactions energy: -186.862
where: short stacking energy: -82.921
Base-Backbone interact. energy: -0.110
local terms energy: -101.484249
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -252.279365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.279365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.279365 (E_RNA)
where:
Base-Base interactions energy: -176.029
where: short stacking energy: -82.840
Base-Backbone interact. energy: -0.582
local terms energy: -75.668341
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -10.188
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -15.143
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: 5, replica: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -181.488691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.488691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.488691 (E_RNA)
where:
Base-Base interactions energy: -94.789
where: short stacking energy: -57.432
Base-Backbone interact. energy: 0.788
local terms energy: -87.487126
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -144.881999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.881999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.881999 (E_RNA)
where:
Base-Base interactions energy: -81.140
where: short stacking energy: -48.165
Base-Backbone interact. energy: -0.067
local terms energy: -63.674979
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -7.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -129.118958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.118958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.118958 (E_RNA)
where:
Base-Base interactions energy: -52.358
where: short stacking energy: -45.028
Base-Backbone interact. energy: -0.040
local terms energy: -76.720337
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -126.401436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.401436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.401436 (E_RNA)
where:
Base-Base interactions energy: -54.445
where: short stacking energy: -43.993
Base-Backbone interact. energy: -0.212
local terms energy: -71.744405
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -6.888
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: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -99.783472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.783472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.783472 (E_RNA)
where:
Base-Base interactions energy: -38.311
where: short stacking energy: -28.397
Base-Backbone interact. energy: -1.107
local terms energy: -60.365061
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -12.665
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: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -101.427736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.427736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.427736 (E_RNA)
where:
Base-Base interactions energy: -44.894
where: short stacking energy: -44.700
Base-Backbone interact. energy: -0.173
local terms energy: -56.360640
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -5.923
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -305.259933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.259933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.259933 (E_RNA)
where:
Base-Base interactions energy: -203.048
where: short stacking energy: -94.076
Base-Backbone interact. energy: -0.158
local terms energy: -102.053266
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -26.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -295.928374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.928374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.928374 (E_RNA)
where:
Base-Base interactions energy: -200.224
where: short stacking energy: -94.921
Base-Backbone interact. energy: -1.050
local terms energy: -94.654769
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -23.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -281.189951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.189951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.189951 (E_RNA)
where:
Base-Base interactions energy: -185.511
where: short stacking energy: -81.059
Base-Backbone interact. energy: -0.984
local terms energy: -94.695413
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -23.498
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -271.374151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.374151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.374151 (E_RNA)
where:
Base-Base interactions energy: -178.166
where: short stacking energy: -74.422
Base-Backbone interact. energy: -0.068
local terms energy: -93.140542
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -171.972295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.972295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.972295 (E_RNA)
where:
Base-Base interactions energy: -96.570
where: short stacking energy: -53.103
Base-Backbone interact. energy: 0.326
local terms energy: -75.728456
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -6.671
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: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -160.086168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.086168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.086168 (E_RNA)
where:
Base-Base interactions energy: -84.555
where: short stacking energy: -49.228
Base-Backbone interact. energy: -0.061
local terms energy: -75.470112
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -6.100
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: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -122.722478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.722478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.722478 (E_RNA)
where:
Base-Base interactions energy: -62.622
where: short stacking energy: -48.204
Base-Backbone interact. energy: -1.398
local terms energy: -58.702336
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: 0.092
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: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -118.966992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.966992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.966992 (E_RNA)
where:
Base-Base interactions energy: -63.807
where: short stacking energy: -41.148
Base-Backbone interact. energy: -0.082
local terms energy: -55.078086
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -6.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -108.221363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.221363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.221363 (E_RNA)
where:
Base-Base interactions energy: -29.331
where: short stacking energy: -28.108
Base-Backbone interact. energy: -0.605
local terms energy: -78.285580
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -113.812218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.812218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.812218 (E_RNA)
where:
Base-Base interactions energy: -63.568
where: short stacking energy: -33.682
Base-Backbone interact. energy: 2.702
local terms energy: -52.945968
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -4.568
tors. eta vs tors. theta energy: -0.748
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -302.175060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.175060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.175060 (E_RNA)
where:
Base-Base interactions energy: -201.530
where: short stacking energy: -86.540
Base-Backbone interact. energy: -0.106
local terms energy: -100.539059
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -17.299
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -301.171968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.171968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.171968 (E_RNA)
where:
Base-Base interactions energy: -193.106
where: short stacking energy: -88.222
Base-Backbone interact. energy: -1.558
local terms energy: -106.507356
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -23.040
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -23.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -280.237422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.237422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.237422 (E_RNA)
where:
Base-Base interactions energy: -183.976
where: short stacking energy: -72.518
Base-Backbone interact. energy: -0.616
local terms energy: -95.644778
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -22.198
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -20.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -273.163994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.163994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.163994 (E_RNA)
where:
Base-Base interactions energy: -184.005
where: short stacking energy: -83.570
Base-Backbone interact. energy: -0.276
local terms energy: -88.882628
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -166.705277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.705277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.705277 (E_RNA)
where:
Base-Base interactions energy: -94.082
where: short stacking energy: -49.620
Base-Backbone interact. energy: -0.922
local terms energy: -71.701057
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -6.527
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: 184
Temperature: 1.150000
Total energy: -188.751969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.751969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.751969 (E_RNA)
where:
Base-Base interactions energy: -110.007
where: short stacking energy: -54.722
Base-Backbone interact. energy: -1.040
local terms energy: -77.705524
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -122.669450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.669450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.669450 (E_RNA)
where:
Base-Base interactions energy: -42.494
where: short stacking energy: -42.494
Base-Backbone interact. energy: -0.073
local terms energy: -80.103070
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -111.135757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.135757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.135757 (E_RNA)
where:
Base-Base interactions energy: -42.137
where: short stacking energy: -38.548
Base-Backbone interact. energy: -0.515
local terms energy: -68.484015
where:
bonds (distance) C4'-P energy: -23.635
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -4.968
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: 184
Temperature: 1.300000
Total energy: -123.767033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.767033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.767033 (E_RNA)
where:
Base-Base interactions energy: -48.658
where: short stacking energy: -38.786
Base-Backbone interact. energy: 0.154
local terms energy: -75.262201
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -3.996
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: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -101.867778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.867778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.867778 (E_RNA)
where:
Base-Base interactions energy: -47.285
where: short stacking energy: -46.659
Base-Backbone interact. energy: 0.158
local terms energy: -54.740999
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -1.695
tors. eta vs tors. theta energy: -8.262
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -295.625272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.625272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.625272 (E_RNA)
where:
Base-Base interactions energy: -205.334
where: short stacking energy: -93.528
Base-Backbone interact. energy: 0.437
local terms energy: -90.728806
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -303.798949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.798949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.798949 (E_RNA)
where:
Base-Base interactions energy: -200.338
where: short stacking energy: -89.545
Base-Backbone interact. energy: -1.532
local terms energy: -101.928943
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -27.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -280.276607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.276607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.276607 (E_RNA)
where:
Base-Base interactions energy: -175.972
where: short stacking energy: -86.366
Base-Backbone interact. energy: -0.302
local terms energy: -104.002899
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -21.089
flat angles P-C4'-P energy: -15.473
tors. eta vs tors. theta energy: -23.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -288.147381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.147381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.147381 (E_RNA)
where:
Base-Base interactions energy: -195.869
where: short stacking energy: -92.094
Base-Backbone interact. energy: -0.168
local terms energy: -92.110470
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -26.589
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: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -178.398434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.398434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.398434 (E_RNA)
where:
Base-Base interactions energy: -103.578
where: short stacking energy: -56.358
Base-Backbone interact. energy: 0.212
local terms energy: -75.032631
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -10.490
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: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -193.694426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.694426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.694426 (E_RNA)
where:
Base-Base interactions energy: -112.842
where: short stacking energy: -67.282
Base-Backbone interact. energy: -0.411
local terms energy: -80.441915
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -21.939
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -16.608
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: 7, replica: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -119.271091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.271091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.271091 (E_RNA)
where:
Base-Base interactions energy: -45.205
where: short stacking energy: -44.439
Base-Backbone interact. energy: -0.362
local terms energy: -73.703996
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -124.834871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.834871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.834871 (E_RNA)
where:
Base-Base interactions energy: -51.930
where: short stacking energy: -30.908
Base-Backbone interact. energy: -0.285
local terms energy: -72.620356
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -11.748
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: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -109.269179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.269179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.269179 (E_RNA)
where:
Base-Base interactions energy: -39.396
where: short stacking energy: -31.626
Base-Backbone interact. energy: -0.787
local terms energy: -69.086562
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -20.916
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -0.734
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: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -105.204047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.204047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.204047 (E_RNA)
where:
Base-Base interactions energy: -43.733
where: short stacking energy: -34.489
Base-Backbone interact. energy: -0.101
local terms energy: -61.369780
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -300.002234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.002234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.002234 (E_RNA)
where:
Base-Base interactions energy: -199.266
where: short stacking energy: -92.642
Base-Backbone interact. energy: -0.756
local terms energy: -99.980058
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -287.876944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.876944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.876944 (E_RNA)
where:
Base-Base interactions energy: -192.161
where: short stacking energy: -92.221
Base-Backbone interact. energy: -0.871
local terms energy: -94.845798
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -24.466
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: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -294.905719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.905719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.905719 (E_RNA)
where:
Base-Base interactions energy: -197.771
where: short stacking energy: -95.014
Base-Backbone interact. energy: -0.023
local terms energy: -97.110896
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -23.190
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -25.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -256.433712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.433712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.433712 (E_RNA)
where:
Base-Base interactions energy: -158.264
where: short stacking energy: -65.557
Base-Backbone interact. energy: -0.388
local terms energy: -97.781319
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -178.686197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.686197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.686197 (E_RNA)
where:
Base-Base interactions energy: -99.192
where: short stacking energy: -57.131
Base-Backbone interact. energy: -0.311
local terms energy: -79.182579
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -22.854
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -6.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -173.214451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.214451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.214451 (E_RNA)
where:
Base-Base interactions energy: -99.844
where: short stacking energy: -65.651
Base-Backbone interact. energy: 0.331
local terms energy: -73.701787
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -10.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -126.113293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.113293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.113293 (E_RNA)
where:
Base-Base interactions energy: -56.404
where: short stacking energy: -43.802
Base-Backbone interact. energy: -0.039
local terms energy: -69.669747
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -129.181923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.181923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.181923 (E_RNA)
where:
Base-Base interactions energy: -57.223
where: short stacking energy: -46.659
Base-Backbone interact. energy: 0.150
local terms energy: -72.108612
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -5.706
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: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -111.060213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.060213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.060213 (E_RNA)
where:
Base-Base interactions energy: -54.287
where: short stacking energy: -41.508
Base-Backbone interact. energy: -0.272
local terms energy: -56.501282
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -3.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -100.854732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.854732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.854732 (E_RNA)
where:
Base-Base interactions energy: -43.195
where: short stacking energy: -42.743
Base-Backbone interact. energy: 0.338
local terms energy: -57.998200
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -2.207
tors. eta vs tors. theta energy: -6.139
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -290.157443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.157443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.157443 (E_RNA)
where:
Base-Base interactions energy: -193.363
where: short stacking energy: -76.927
Base-Backbone interact. energy: -0.048
local terms energy: -96.746501
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -23.065
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -17.467
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: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -300.613010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.613010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.613010 (E_RNA)
where:
Base-Base interactions energy: -193.154
where: short stacking energy: -90.349
Base-Backbone interact. energy: -0.235
local terms energy: -107.223854
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -28.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -266.931530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.931530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.931530 (E_RNA)
where:
Base-Base interactions energy: -173.100
where: short stacking energy: -78.591
Base-Backbone interact. energy: -0.666
local terms energy: -93.165679
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -245.997849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.997849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.997849 (E_RNA)
where:
Base-Base interactions energy: -154.020
where: short stacking energy: -77.028
Base-Backbone interact. energy: -0.641
local terms energy: -91.336218
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -22.855
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -189.921512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.921512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.921512 (E_RNA)
where:
Base-Base interactions energy: -110.045
where: short stacking energy: -68.389
Base-Backbone interact. energy: -0.075
local terms energy: -79.800982
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -8.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -160.129819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.129819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.129819 (E_RNA)
where:
Base-Base interactions energy: -77.662
where: short stacking energy: -47.035
Base-Backbone interact. energy: -1.125
local terms energy: -81.342733
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -8.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -119.164065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.164065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.164065 (E_RNA)
where:
Base-Base interactions energy: -50.699
where: short stacking energy: -36.972
Base-Backbone interact. energy: 0.493
local terms energy: -68.958257
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -122.560202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.560202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.560202 (E_RNA)
where:
Base-Base interactions energy: -52.037
where: short stacking energy: -47.521
Base-Backbone interact. energy: -1.640
local terms energy: -68.883184
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -109.736483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.736483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.736483 (E_RNA)
where:
Base-Base interactions energy: -41.464
where: short stacking energy: -33.331
Base-Backbone interact. energy: 0.654
local terms energy: -68.926847
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -19.328
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -105.792923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.792923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.792923 (E_RNA)
where:
Base-Base interactions energy: -45.061
where: short stacking energy: -27.572
Base-Backbone interact. energy: 1.800
local terms energy: -62.531829
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -306.937901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.937901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.937901 (E_RNA)
where:
Base-Base interactions energy: -199.901
where: short stacking energy: -96.364
Base-Backbone interact. energy: -0.776
local terms energy: -106.260319
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -29.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -287.478890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.478890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.478890 (E_RNA)
where:
Base-Base interactions energy: -183.907
where: short stacking energy: -82.408
Base-Backbone interact. energy: -0.766
local terms energy: -102.806342
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -17.291
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: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -267.371176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.371176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.371176 (E_RNA)
where:
Base-Base interactions energy: -172.182
where: short stacking energy: -72.685
Base-Backbone interact. energy: -1.739
local terms energy: -93.450580
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -21.826
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -260.322799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.322799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.322799 (E_RNA)
where:
Base-Base interactions energy: -168.775
where: short stacking energy: -83.369
Base-Backbone interact. energy: -0.276
local terms energy: -91.271741
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -21.578
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: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -214.458305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.458305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.458305 (E_RNA)
where:
Base-Base interactions energy: -120.568
where: short stacking energy: -77.194
Base-Backbone interact. energy: -0.447
local terms energy: -93.442649
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -21.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -157.745436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.745436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.745436 (E_RNA)
where:
Base-Base interactions energy: -78.558
where: short stacking energy: -47.333
Base-Backbone interact. energy: -0.003
local terms energy: -79.184030
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -14.319
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: 7, replica: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -158.850572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.850572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.850572 (E_RNA)
where:
Base-Base interactions energy: -84.595
where: short stacking energy: -54.076
Base-Backbone interact. energy: -0.371
local terms energy: -73.884610
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -22.085
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -15.673
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: 188
Temperature: 1.250000
Total energy: -120.339848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.339848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.339848 (E_RNA)
where:
Base-Base interactions energy: -48.229
where: short stacking energy: -36.474
Base-Backbone interact. energy: -0.062
local terms energy: -72.048493
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -136.485285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.485285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.485285 (E_RNA)
where:
Base-Base interactions energy: -75.133
where: short stacking energy: -39.421
Base-Backbone interact. energy: -0.229
local terms energy: -61.123199
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -99.831598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.831598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.831598 (E_RNA)
where:
Base-Base interactions energy: -25.323
where: short stacking energy: -25.635
Base-Backbone interact. energy: -0.252
local terms energy: -74.256611
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -6.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -319.383256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.383256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.383256 (E_RNA)
where:
Base-Base interactions energy: -214.966
where: short stacking energy: -99.988
Base-Backbone interact. energy: -0.336
local terms energy: -104.081344
where:
bonds (distance) C4'-P energy: -22.203
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -16.836
tors. eta vs tors. theta energy: -25.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -286.454911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.454911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.454911 (E_RNA)
where:
Base-Base interactions energy: -192.346
where: short stacking energy: -83.093
Base-Backbone interact. energy: -1.056
local terms energy: -93.053450
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -279.163889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.163889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.163889 (E_RNA)
where:
Base-Base interactions energy: -183.743
where: short stacking energy: -91.556
Base-Backbone interact. energy: -0.201
local terms energy: -95.220693
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -23.723
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -20.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -263.385018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.385018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.385018 (E_RNA)
where:
Base-Base interactions energy: -171.765
where: short stacking energy: -75.031
Base-Backbone interact. energy: 0.046
local terms energy: -91.665558
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -23.900
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -23.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -211.025196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.025196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.025196 (E_RNA)
where:
Base-Base interactions energy: -125.890
where: short stacking energy: -68.948
Base-Backbone interact. energy: -0.222
local terms energy: -84.913426
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -18.490
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -15.581
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: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -170.705039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.705039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.705039 (E_RNA)
where:
Base-Base interactions energy: -102.084
where: short stacking energy: -61.656
Base-Backbone interact. energy: -0.143
local terms energy: -68.477471
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -5.750
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: 3
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -134.205788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.205788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.205788 (E_RNA)
where:
Base-Base interactions energy: -66.571
where: short stacking energy: -40.919
Base-Backbone interact. energy: -0.273
local terms energy: -67.362007
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -13.259
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: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -156.193285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.193285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.193285 (E_RNA)
where:
Base-Base interactions energy: -77.591
where: short stacking energy: -45.624
Base-Backbone interact. energy: 0.610
local terms energy: -79.212396
where:
bonds (distance) C4'-P energy: -21.644
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -9.274
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: 4
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -104.302525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.302525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.302525 (E_RNA)
where:
Base-Base interactions energy: -35.703
where: short stacking energy: -32.753
Base-Backbone interact. energy: 0.187
local terms energy: -68.786232
where:
bonds (distance) C4'-P energy: -20.063
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -1.979
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: 7
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -91.004380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.004380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.004380 (E_RNA)
where:
Base-Base interactions energy: -36.038
where: short stacking energy: -30.245
Base-Backbone interact. energy: 0.456
local terms energy: -55.421967
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -19.684
flat angles P-C4'-P energy: -2.604
tors. eta vs tors. theta energy: 4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -293.029993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.029993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.029993 (E_RNA)
where:
Base-Base interactions energy: -196.160
where: short stacking energy: -86.438
Base-Backbone interact. energy: -0.199
local terms energy: -96.670132
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -19.628
flat angles P-C4'-P energy: -18.194
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: 2, replica: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -300.482497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.482497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.482497 (E_RNA)
where:
Base-Base interactions energy: -206.538
where: short stacking energy: -92.110
Base-Backbone interact. energy: -0.473
local terms energy: -93.471477
where:
bonds (distance) C4'-P energy: -20.896
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -268.696157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.696157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.696157 (E_RNA)
where:
Base-Base interactions energy: -176.387
where: short stacking energy: -73.122
Base-Backbone interact. energy: -0.826
local terms energy: -91.483654
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -269.174886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.174886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.174886 (E_RNA)
where:
Base-Base interactions energy: -174.877
where: short stacking energy: -86.834
Base-Backbone interact. energy: -1.217
local terms energy: -93.081112
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -20.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -205.271248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.271248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.271248 (E_RNA)
where:
Base-Base interactions energy: -120.862
where: short stacking energy: -57.057
Base-Backbone interact. energy: -1.224
local terms energy: -83.185302
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -14.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -158.649543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.649543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.649543 (E_RNA)
where:
Base-Base interactions energy: -89.576
where: short stacking energy: -46.748
Base-Backbone interact. energy: -1.169
local terms energy: -67.904251
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -7.170
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: 7, replica: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -161.241835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.241835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.241835 (E_RNA)
where:
Base-Base interactions energy: -84.617
where: short stacking energy: -53.046
Base-Backbone interact. energy: -0.852
local terms energy: -75.773287
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -9.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -114.137973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.137973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.137973 (E_RNA)
where:
Base-Base interactions energy: -47.498
where: short stacking energy: -47.498
Base-Backbone interact. energy: -0.167
local terms energy: -66.473291
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -7.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -99.596925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.596925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.596925 (E_RNA)
where:
Base-Base interactions energy: -37.536
where: short stacking energy: -37.536
Base-Backbone interact. energy: 0.583
local terms energy: -62.644040
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -101.117282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.117282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.117282 (E_RNA)
where:
Base-Base interactions energy: -32.804
where: short stacking energy: -31.935
Base-Backbone interact. energy: 2.211
local terms energy: -70.524165
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -0.953
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -293.225369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.225369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.225369 (E_RNA)
where:
Base-Base interactions energy: -190.321
where: short stacking energy: -84.625
Base-Backbone interact. energy: -0.937
local terms energy: -101.967058
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -17.813
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -17.578
tors. eta vs tors. theta energy: -21.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -297.135505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.135505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.135505 (E_RNA)
where:
Base-Base interactions energy: -201.763
where: short stacking energy: -88.338
Base-Backbone interact. energy: -0.037
local terms energy: -95.335492
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -19.623
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: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -306.902345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.902345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.902345 (E_RNA)
where:
Base-Base interactions energy: -198.278
where: short stacking energy: -92.934
Base-Backbone interact. energy: -0.397
local terms energy: -108.226998
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -17.244
tors. eta vs tors. theta energy: -26.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -275.546927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.546927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.546927 (E_RNA)
where:
Base-Base interactions energy: -185.946
where: short stacking energy: -87.175
Base-Backbone interact. energy: -0.296
local terms energy: -89.304887
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -23.750
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: 5, replica: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -210.634178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.634178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.634178 (E_RNA)
where:
Base-Base interactions energy: -128.247
where: short stacking energy: -65.945
Base-Backbone interact. energy: -0.281
local terms energy: -82.106561
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -13.740
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: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -141.080191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.080191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.080191 (E_RNA)
where:
Base-Base interactions energy: -61.038
where: short stacking energy: -47.294
Base-Backbone interact. energy: -0.614
local terms energy: -79.428714
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -10.565
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: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -175.027185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.027185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.027185 (E_RNA)
where:
Base-Base interactions energy: -97.768
where: short stacking energy: -52.156
Base-Backbone interact. energy: -0.982
local terms energy: -76.276476
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: -10.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -113.461883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.461883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.461883 (E_RNA)
where:
Base-Base interactions energy: -46.761
where: short stacking energy: -43.949
Base-Backbone interact. energy: -1.172
local terms energy: -65.528775
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -130.182755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.182755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.182755 (E_RNA)
where:
Base-Base interactions energy: -57.605
where: short stacking energy: -33.019
Base-Backbone interact. energy: -0.232
local terms energy: -72.346156
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -24.886
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -104.352425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.352425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.352425 (E_RNA)
where:
Base-Base interactions energy: -39.683
where: short stacking energy: -36.450
Base-Backbone interact. energy: -0.172
local terms energy: -64.497466
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -11.533
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -302.097593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.097593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.097593 (E_RNA)
where:
Base-Base interactions energy: -198.313
where: short stacking energy: -94.017
Base-Backbone interact. energy: -0.921
local terms energy: -102.864123
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -19.732
tors. eta vs tors. theta energy: -23.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -293.417799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.417799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.417799 (E_RNA)
where:
Base-Base interactions energy: -203.854
where: short stacking energy: -91.777
Base-Backbone interact. energy: -1.000
local terms energy: -88.564049
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -279.065479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.065479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.065479 (E_RNA)
where:
Base-Base interactions energy: -181.687
where: short stacking energy: -80.252
Base-Backbone interact. energy: -0.631
local terms energy: -96.747083
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -21.214
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: 192
Temperature: 1.050000
Total energy: -266.673621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.673621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.673621 (E_RNA)
where:
Base-Base interactions energy: -177.094
where: short stacking energy: -80.356
Base-Backbone interact. energy: -0.010
local terms energy: -89.570413
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -204.064647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.064647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.064647 (E_RNA)
where:
Base-Base interactions energy: -125.686
where: short stacking energy: -71.071
Base-Backbone interact. energy: -0.078
local terms energy: -78.300937
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -15.749
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: 6, replica: 1
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -138.127463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.127463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.127463 (E_RNA)
where:
Base-Base interactions energy: -52.982
where: short stacking energy: -52.328
Base-Backbone interact. energy: -0.137
local terms energy: -85.008396
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -24.128
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -172.830057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.830057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.830057 (E_RNA)
where:
Base-Base interactions energy: -90.008
where: short stacking energy: -58.153
Base-Backbone interact. energy: -0.170
local terms energy: -82.651739
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -12.295
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: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -117.895085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.895085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.895085 (E_RNA)
where:
Base-Base interactions energy: -50.693
where: short stacking energy: -42.193
Base-Backbone interact. energy: -0.284
local terms energy: -66.918035
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -3.868
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: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -153.601982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.601982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.601982 (E_RNA)
where:
Base-Base interactions energy: -85.291
where: short stacking energy: -43.294
Base-Backbone interact. energy: 0.069
local terms energy: -68.380076
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -6.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -103.173335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.173335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.173335 (E_RNA)
where:
Base-Base interactions energy: -44.827
where: short stacking energy: -36.273
Base-Backbone interact. energy: -0.223
local terms energy: -58.122699
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -295.094200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.094200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.094200 (E_RNA)
where:
Base-Base interactions energy: -191.804
where: short stacking energy: -90.669
Base-Backbone interact. energy: -0.138
local terms energy: -103.151639
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -23.114
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -297.672501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.672501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.672501 (E_RNA)
where:
Base-Base interactions energy: -198.652
where: short stacking energy: -97.466
Base-Backbone interact. energy: -0.097
local terms energy: -98.922957
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -29.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -295.029116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.029116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.029116 (E_RNA)
where:
Base-Base interactions energy: -196.106
where: short stacking energy: -86.132
Base-Backbone interact. energy: -0.716
local terms energy: -98.207123
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -27.384
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: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -263.052720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.052720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.052720 (E_RNA)
where:
Base-Base interactions energy: -164.700
where: short stacking energy: -83.143
Base-Backbone interact. energy: -3.128
local terms energy: -95.224755
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -20.331
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -198.556748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.556748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.556748 (E_RNA)
where:
Base-Base interactions energy: -115.094
where: short stacking energy: -56.781
Base-Backbone interact. energy: -0.046
local terms energy: -83.416856
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -22.182
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -10.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -170.440306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.440306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.440306 (E_RNA)
where:
Base-Base interactions energy: -92.761
where: short stacking energy: -59.795
Base-Backbone interact. energy: -0.763
local terms energy: -76.915715
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -119.549906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.549906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.549906 (E_RNA)
where:
Base-Base interactions energy: -48.150
where: short stacking energy: -26.822
Base-Backbone interact. energy: -0.483
local terms energy: -70.916923
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -111.667105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.667105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.667105 (E_RNA)
where:
Base-Base interactions energy: -50.708
where: short stacking energy: -36.215
Base-Backbone interact. energy: -0.697
local terms energy: -60.262218
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -108.490566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.490566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.490566 (E_RNA)
where:
Base-Base interactions energy: -50.022
where: short stacking energy: -39.039
Base-Backbone interact. energy: -0.271
local terms energy: -58.197695
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -9.429
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -0.691
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: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -100.520829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.520829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.520829 (E_RNA)
where:
Base-Base interactions energy: -44.750
where: short stacking energy: -42.401
Base-Backbone interact. energy: -0.438
local terms energy: -55.332857
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: 1.061
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -296.904825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.904825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.904825 (E_RNA)
where:
Base-Base interactions energy: -194.919
where: short stacking energy: -94.561
Base-Backbone interact. energy: -0.047
local terms energy: -101.938965
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -22.383
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -23.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -290.954976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.954976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.954976 (E_RNA)
where:
Base-Base interactions energy: -187.057
where: short stacking energy: -95.156
Base-Backbone interact. energy: -0.181
local terms energy: -103.717062
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -15.370
tors. eta vs tors. theta energy: -23.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -285.172052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.172052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.172052 (E_RNA)
where:
Base-Base interactions energy: -184.710
where: short stacking energy: -83.090
Base-Backbone interact. energy: -0.565
local terms energy: -99.897404
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -22.080
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: 194
Temperature: 1.050000
Total energy: -271.240935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.240935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.240935 (E_RNA)
where:
Base-Base interactions energy: -183.636
where: short stacking energy: -78.809
Base-Backbone interact. energy: -0.500
local terms energy: -87.104662
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -10.632
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: 5, replica: 8
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -202.412430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.412430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.412430 (E_RNA)
where:
Base-Base interactions energy: -114.529
where: short stacking energy: -65.890
Base-Backbone interact. energy: -0.114
local terms energy: -87.769365
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -21.631
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -16.770
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: 10
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -173.775285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.775285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.775285 (E_RNA)
where:
Base-Base interactions energy: -96.772
where: short stacking energy: -69.682
Base-Backbone interact. energy: -0.087
local terms energy: -76.915797
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -14.821
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: 7, replica: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -110.808761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.808761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.808761 (E_RNA)
where:
Base-Base interactions energy: -45.002
where: short stacking energy: -33.955
Base-Backbone interact. energy: -0.620
local terms energy: -65.186840
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: 2.496
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: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -129.870768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.870768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.870768 (E_RNA)
where:
Base-Base interactions energy: -73.402
where: short stacking energy: -37.191
Base-Backbone interact. energy: -1.027
local terms energy: -55.442217
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: 0.192
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: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -101.980053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.980053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.980053 (E_RNA)
where:
Base-Base interactions energy: -34.125
where: short stacking energy: -32.486
Base-Backbone interact. energy: 0.397
local terms energy: -68.252390
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -4.006
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: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -98.738410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.738410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.738410 (E_RNA)
where:
Base-Base interactions energy: -40.873
where: short stacking energy: -32.870
Base-Backbone interact. energy: -0.226
local terms energy: -57.639419
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -292.741196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.741196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.741196 (E_RNA)
where:
Base-Base interactions energy: -185.438
where: short stacking energy: -82.899
Base-Backbone interact. energy: -0.189
local terms energy: -107.114356
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -23.656
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: -23.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -295.194976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.194976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.194976 (E_RNA)
where:
Base-Base interactions energy: -198.276
where: short stacking energy: -86.514
Base-Backbone interact. energy: -0.091
local terms energy: -96.828311
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -26.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -274.576564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.576564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.576564 (E_RNA)
where:
Base-Base interactions energy: -186.857
where: short stacking energy: -89.216
Base-Backbone interact. energy: -0.671
local terms energy: -87.048290
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -22.193
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: 195
Temperature: 1.050000
Total energy: -255.413298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.413298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.413298 (E_RNA)
where:
Base-Base interactions energy: -177.240
where: short stacking energy: -74.005
Base-Backbone interact. energy: 2.607
local terms energy: -80.779556
where:
bonds (distance) C4'-P energy: -21.219
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -17.014
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: 195
Temperature: 1.100000
Total energy: -200.645255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.645255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.645255 (E_RNA)
where:
Base-Base interactions energy: -105.958
where: short stacking energy: -70.577
Base-Backbone interact. energy: -0.897
local terms energy: -93.790384
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -22.066
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -133.617490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.617490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.617490 (E_RNA)
where:
Base-Base interactions energy: -54.075
where: short stacking energy: -51.415
Base-Backbone interact. energy: -0.140
local terms energy: -79.401691
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -194.916038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.916038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.916038 (E_RNA)
where:
Base-Base interactions energy: -116.571
where: short stacking energy: -55.869
Base-Backbone interact. energy: -0.946
local terms energy: -77.399371
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -21.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -133.789064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.789064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.789064 (E_RNA)
where:
Base-Base interactions energy: -61.356
where: short stacking energy: -33.105
Base-Backbone interact. energy: -0.780
local terms energy: -71.652240
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -11.508
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: 9, replica: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -122.284880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.284880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.284880 (E_RNA)
where:
Base-Base interactions energy: -39.061
where: short stacking energy: -35.130
Base-Backbone interact. energy: -0.295
local terms energy: -82.928747
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -9.369
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: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -97.265344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.265344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.265344 (E_RNA)
where:
Base-Base interactions energy: -41.361
where: short stacking energy: -22.169
Base-Backbone interact. energy: -0.170
local terms energy: -55.733856
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -308.239334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.239334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.239334 (E_RNA)
where:
Base-Base interactions energy: -208.210
where: short stacking energy: -103.634
Base-Backbone interact. energy: -0.158
local terms energy: -99.871418
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -28.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -291.456642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.456642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.456642 (E_RNA)
where:
Base-Base interactions energy: -201.289
where: short stacking energy: -86.022
Base-Backbone interact. energy: -0.117
local terms energy: -90.050571
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -22.358
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -21.749
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: 196
Temperature: 1.000000
Total energy: -263.305821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.305821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.305821 (E_RNA)
where:
Base-Base interactions energy: -174.351
where: short stacking energy: -76.682
Base-Backbone interact. energy: -0.066
local terms energy: -88.888729
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -20.689
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -18.462
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: 196
Temperature: 1.050000
Total energy: -274.138545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.138545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.138545 (E_RNA)
where:
Base-Base interactions energy: -176.396
where: short stacking energy: -79.941
Base-Backbone interact. energy: -0.154
local terms energy: -97.588753
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -23.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -221.406307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.406307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.406307 (E_RNA)
where:
Base-Base interactions energy: -130.897
where: short stacking energy: -83.504
Base-Backbone interact. energy: -0.573
local terms energy: -89.936131
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -14.084
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: 6, replica: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -155.124219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.124219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.124219 (E_RNA)
where:
Base-Base interactions energy: -75.814
where: short stacking energy: -57.479
Base-Backbone interact. energy: -3.418
local terms energy: -75.892110
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -12.637
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: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -172.039115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.039115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.039115 (E_RNA)
where:
Base-Base interactions energy: -92.607
where: short stacking energy: -53.498
Base-Backbone interact. energy: -1.300
local terms energy: -78.132566
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -19.466
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -11.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -111.589807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.589807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.589807 (E_RNA)
where:
Base-Base interactions energy: -40.912
where: short stacking energy: -41.812
Base-Backbone interact. energy: -0.122
local terms energy: -70.556044
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -6.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -109.111379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.111379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.111379 (E_RNA)
where:
Base-Base interactions energy: -49.891
where: short stacking energy: -48.429
Base-Backbone interact. energy: 0.334
local terms energy: -59.554797
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -95.968332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.968332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.968332 (E_RNA)
where:
Base-Base interactions energy: -41.135
where: short stacking energy: -30.211
Base-Backbone interact. energy: -0.627
local terms energy: -54.206859
where:
bonds (distance) C4'-P energy: -21.613
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: 0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -306.870719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.870719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.870719 (E_RNA)
where:
Base-Base interactions energy: -202.253
where: short stacking energy: -92.258
Base-Backbone interact. energy: -0.472
local terms energy: -104.146110
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -26.477
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: 197
Temperature: 0.950000
Total energy: -295.719741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.719741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.719741 (E_RNA)
where:
Base-Base interactions energy: -194.793
where: short stacking energy: -89.617
Base-Backbone interact. energy: 0.755
local terms energy: -101.681434
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -23.751
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -24.568
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: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -276.949715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.949715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.949715 (E_RNA)
where:
Base-Base interactions energy: -189.497
where: short stacking energy: -80.980
Base-Backbone interact. energy: -1.364
local terms energy: -86.088767
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -21.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -219.157874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.157874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.157874 (E_RNA)
where:
Base-Base interactions energy: -126.152
where: short stacking energy: -62.606
Base-Backbone interact. energy: -1.957
local terms energy: -91.049372
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -267.441113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.441113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.441113 (E_RNA)
where:
Base-Base interactions energy: -174.295
where: short stacking energy: -87.758
Base-Backbone interact. energy: -0.966
local terms energy: -92.179436
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -21.396
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -29.426
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: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -146.084520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.084520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.084520 (E_RNA)
where:
Base-Base interactions energy: -73.593
where: short stacking energy: -47.480
Base-Backbone interact. energy: -0.183
local terms energy: -72.308653
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -8.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -174.777594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.777594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.777594 (E_RNA)
where:
Base-Base interactions energy: -91.552
where: short stacking energy: -58.253
Base-Backbone interact. energy: -0.812
local terms energy: -82.413405
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -9.056
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: 3
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -122.013592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.013592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.013592 (E_RNA)
where:
Base-Base interactions energy: -61.878
where: short stacking energy: -48.405
Base-Backbone interact. energy: 2.085
local terms energy: -62.221120
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -6.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -109.066745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.066745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.066745 (E_RNA)
where:
Base-Base interactions energy: -45.012
where: short stacking energy: -36.402
Base-Backbone interact. energy: -1.047
local terms energy: -63.007301
where:
bonds (distance) C4'-P energy: -21.557
bonds (distance) P-C4' energy: -24.875
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -3.193
tors. eta vs tors. theta energy: 3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -100.652729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.652729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.652729 (E_RNA)
where:
Base-Base interactions energy: -39.227
where: short stacking energy: -20.995
Base-Backbone interact. energy: -0.248
local terms energy: -61.177815
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: 4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -307.348934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.348934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.348934 (E_RNA)
where:
Base-Base interactions energy: -201.596
where: short stacking energy: -92.218
Base-Backbone interact. energy: 0.016
local terms energy: -105.768813
where:
bonds (distance) C4'-P energy: -18.105
bonds (distance) P-C4' energy: -21.631
flat angles C4'-P-C4' energy: -22.437
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -26.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -294.955063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.955063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.955063 (E_RNA)
where:
Base-Base interactions energy: -194.752
where: short stacking energy: -90.792
Base-Backbone interact. energy: -0.872
local terms energy: -99.330542
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -23.435
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -22.147
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: 198
Temperature: 1.000000
Total energy: -295.545560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.545560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.545560 (E_RNA)
where:
Base-Base interactions energy: -196.151
where: short stacking energy: -84.428
Base-Backbone interact. energy: -0.111
local terms energy: -99.284368
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -27.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -234.326776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.326776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.326776 (E_RNA)
where:
Base-Base interactions energy: -139.669
where: short stacking energy: -72.603
Base-Backbone interact. energy: -0.125
local terms energy: -94.532354
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -23.070
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: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -266.228296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.228296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.228296 (E_RNA)
where:
Base-Base interactions energy: -173.110
where: short stacking energy: -86.990
Base-Backbone interact. energy: -0.304
local terms energy: -92.813955
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -22.493
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: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -145.940936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.940936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.940936 (E_RNA)
where:
Base-Base interactions energy: -61.766
where: short stacking energy: -44.689
Base-Backbone interact. energy: -0.762
local terms energy: -83.412891
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -18.832
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -14.063
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: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -119.478206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.478206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.478206 (E_RNA)
where:
Base-Base interactions energy: -57.611
where: short stacking energy: -41.932
Base-Backbone interact. energy: -0.445
local terms energy: -61.422675
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -117.794119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.794119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.794119 (E_RNA)
where:
Base-Base interactions energy: -56.412
where: short stacking energy: -33.472
Base-Backbone interact. energy: -1.168
local terms energy: -60.213362
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -1.978
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: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -104.084846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.084846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.084846 (E_RNA)
where:
Base-Base interactions energy: -38.913
where: short stacking energy: -27.792
Base-Backbone interact. energy: -0.205
local terms energy: -64.967019
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -107.297829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.297829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.297829 (E_RNA)
where:
Base-Base interactions energy: -30.411
where: short stacking energy: -23.787
Base-Backbone interact. energy: -1.231
local terms energy: -75.655566
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -24.206
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -4.053
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -307.809958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.809958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.809958 (E_RNA)
where:
Base-Base interactions energy: -203.241
where: short stacking energy: -99.099
Base-Backbone interact. energy: -0.672
local terms energy: -103.897438
where:
bonds (distance) C4'-P energy: -24.318
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -28.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -304.183090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.183090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.183090 (E_RNA)
where:
Base-Base interactions energy: -202.872
where: short stacking energy: -90.910
Base-Backbone interact. energy: -0.601
local terms energy: -100.709297
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -26.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -283.733142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.733142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.733142 (E_RNA)
where:
Base-Base interactions energy: -188.700
where: short stacking energy: -85.928
Base-Backbone interact. energy: -0.439
local terms energy: -94.593577
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -20.063
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: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -244.953893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.953893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.953893 (E_RNA)
where:
Base-Base interactions energy: -150.572
where: short stacking energy: -82.363
Base-Backbone interact. energy: 1.471
local terms energy: -95.852686
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -216.419616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.419616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.419616 (E_RNA)
where:
Base-Base interactions energy: -130.405
where: short stacking energy: -79.328
Base-Backbone interact. energy: -0.173
local terms energy: -85.841795
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -20.271
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: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -143.337751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.337751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.337751 (E_RNA)
where:
Base-Base interactions energy: -63.987
where: short stacking energy: -51.923
Base-Backbone interact. energy: 1.253
local terms energy: -80.603259
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -11.840
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: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -120.129902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.129902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.129902 (E_RNA)
where:
Base-Base interactions energy: -64.135
where: short stacking energy: -34.954
Base-Backbone interact. energy: -0.068
local terms energy: -55.926022
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -2.726
tors. eta vs tors. theta energy: 3.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -146.244454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.244454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.244454 (E_RNA)
where:
Base-Base interactions energy: -78.696
where: short stacking energy: -47.271
Base-Backbone interact. energy: -0.510
local terms energy: -67.038742
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -7.061
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: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -116.882261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.882261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.882261 (E_RNA)
where:
Base-Base interactions energy: -40.535
where: short stacking energy: -40.535
Base-Backbone interact. energy: -0.172
local terms energy: -76.175884
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -10.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -110.595264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.595264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.595264 (E_RNA)
where:
Base-Base interactions energy: -44.042
where: short stacking energy: -31.938
Base-Backbone interact. energy: 1.104
local terms energy: -67.657229
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -8.935
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -308.986956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.986956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.986956 (E_RNA)
where:
Base-Base interactions energy: -209.638
where: short stacking energy: -98.911
Base-Backbone interact. energy: 0.306
local terms energy: -99.655677
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -23.926
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: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -291.194660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.194660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.194660 (E_RNA)
where:
Base-Base interactions energy: -198.071
where: short stacking energy: -83.303
Base-Backbone interact. energy: 0.391
local terms energy: -93.515168
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -21.267
flat angles P-C4'-P energy: -16.562
tors. eta vs tors. theta energy: -20.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -291.987016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.987016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.987016 (E_RNA)
where:
Base-Base interactions energy: -198.635
where: short stacking energy: -91.479
Base-Backbone interact. energy: -0.943
local terms energy: -92.408747
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -19.534
flat angles C4'-P-C4' energy: -22.875
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -267.936482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.936482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.936482 (E_RNA)
where:
Base-Base interactions energy: -173.587
where: short stacking energy: -80.090
Base-Backbone interact. energy: -0.223
local terms energy: -94.126649
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -23.184
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -19.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -198.945119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.945119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.945119 (E_RNA)
where:
Base-Base interactions energy: -127.606
where: short stacking energy: -63.862
Base-Backbone interact. energy: -0.444
local terms energy: -70.895289
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -12.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -119.469709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.469709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.469709 (E_RNA)
where:
Base-Base interactions energy: -44.085
where: short stacking energy: -40.627
Base-Backbone interact. energy: -0.537
local terms energy: -74.847629
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -150.104423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.104423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.104423 (E_RNA)
where:
Base-Base interactions energy: -85.401
where: short stacking energy: -43.882
Base-Backbone interact. energy: -0.145
local terms energy: -64.558113
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -7.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -144.798109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.798109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.798109 (E_RNA)
where:
Base-Base interactions energy: -69.074
where: short stacking energy: -50.098
Base-Backbone interact. energy: -0.234
local terms energy: -75.490456
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -111.987301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.987301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.987301 (E_RNA)
where:
Base-Base interactions energy: -42.451
where: short stacking energy: -41.624
Base-Backbone interact. energy: 0.101
local terms energy: -69.637391
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -108.847230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.847230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.847230 (E_RNA)
where:
Base-Base interactions energy: -50.667
where: short stacking energy: -25.739
Base-Backbone interact. energy: -0.475
local terms energy: -57.705114
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -7.603
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -5.399
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -306.545233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.545233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.545233 (E_RNA)
where:
Base-Base interactions energy: -208.518
where: short stacking energy: -90.259
Base-Backbone interact. energy: -0.187
local terms energy: -97.840139
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -19.256
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -23.808
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: 201
Temperature: 0.950000
Total energy: -293.271498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.271498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.271498 (E_RNA)
where:
Base-Base interactions energy: -199.040
where: short stacking energy: -93.826
Base-Backbone interact. energy: -0.671
local terms energy: -93.560357
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -22.555
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -19.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -293.768147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.768147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.768147 (E_RNA)
where:
Base-Base interactions energy: -196.397
where: short stacking energy: -86.959
Base-Backbone interact. energy: -0.420
local terms energy: -96.951597
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -23.612
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -24.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -269.875223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.875223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.875223 (E_RNA)
where:
Base-Base interactions energy: -174.558
where: short stacking energy: -73.022
Base-Backbone interact. energy: -0.195
local terms energy: -95.122451
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -192.061274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.061274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.061274 (E_RNA)
where:
Base-Base interactions energy: -120.246
where: short stacking energy: -62.429
Base-Backbone interact. energy: 2.158
local terms energy: -73.973666
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -20.698
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -9.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -140.212937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.212937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.212937 (E_RNA)
where:
Base-Base interactions energy: -64.939
where: short stacking energy: -53.971
Base-Backbone interact. energy: -0.549
local terms energy: -74.725125
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -10.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -126.610099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.610099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.610099 (E_RNA)
where:
Base-Base interactions energy: -60.250
where: short stacking energy: -48.436
Base-Backbone interact. energy: -0.395
local terms energy: -65.965243
where:
bonds (distance) C4'-P energy: -8.768
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -112.896925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.896925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.896925 (E_RNA)
where:
Base-Base interactions energy: -44.193
where: short stacking energy: -41.976
Base-Backbone interact. energy: -0.348
local terms energy: -68.355366
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -8.408
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -104.545226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.545226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.545226 (E_RNA)
where:
Base-Base interactions energy: -37.728
where: short stacking energy: -30.015
Base-Backbone interact. energy: -0.357
local terms energy: -66.460200
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -1.732
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: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -94.240109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.240109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.240109 (E_RNA)
where:
Base-Base interactions energy: -40.694
where: short stacking energy: -17.094
Base-Backbone interact. energy: -0.249
local terms energy: -53.297059
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: 5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -304.367660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.367660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.367660 (E_RNA)
where:
Base-Base interactions energy: -198.442
where: short stacking energy: -86.614
Base-Backbone interact. energy: -0.653
local terms energy: -105.272033
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -23.699
flat angles C4'-P-C4' energy: -25.460
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -307.251269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.251269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.251269 (E_RNA)
where:
Base-Base interactions energy: -198.255
where: short stacking energy: -96.468
Base-Backbone interact. energy: 0.070
local terms energy: -109.066037
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -23.294
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -24.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -278.810716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.810716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.810716 (E_RNA)
where:
Base-Base interactions energy: -192.242
where: short stacking energy: -88.294
Base-Backbone interact. energy: 0.963
local terms energy: -87.531335
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -21.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -284.607115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.607115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.607115 (E_RNA)
where:
Base-Base interactions energy: -183.149
where: short stacking energy: -83.050
Base-Backbone interact. energy: -0.702
local terms energy: -100.755959
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -18.859
tors. eta vs tors. theta energy: -20.783
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: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -182.350707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.350707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.350707 (E_RNA)
where:
Base-Base interactions energy: -107.200
where: short stacking energy: -55.473
Base-Backbone interact. energy: -0.472
local terms energy: -74.679445
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -23.615
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -187.168786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.168786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.168786 (E_RNA)
where:
Base-Base interactions energy: -109.571
where: short stacking energy: -61.746
Base-Backbone interact. energy: -1.110
local terms energy: -76.487660
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -13.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -112.902062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.902062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.902062 (E_RNA)
where:
Base-Base interactions energy: -45.444
where: short stacking energy: -45.444
Base-Backbone interact. energy: -0.123
local terms energy: -67.335615
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -2.442
tors. eta vs tors. theta energy: -9.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -118.412835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.412835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.412835 (E_RNA)
where:
Base-Base interactions energy: -53.015
where: short stacking energy: -37.234
Base-Backbone interact. energy: -0.311
local terms energy: -65.087223
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -3.198
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: 202
Temperature: 1.300000
Total energy: -128.854682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.854682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.854682 (E_RNA)
where:
Base-Base interactions energy: -64.876
where: short stacking energy: -39.215
Base-Backbone interact. energy: -0.552
local terms energy: -63.427330
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -2.558
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: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -94.578008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.578008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.578008 (E_RNA)
where:
Base-Base interactions energy: -41.144
where: short stacking energy: -28.369
Base-Backbone interact. energy: -0.492
local terms energy: -52.941783
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: 4.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -298.878875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.878875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.878875 (E_RNA)
where:
Base-Base interactions energy: -203.798
where: short stacking energy: -92.296
Base-Backbone interact. energy: -0.102
local terms energy: -94.978972
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -24.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -308.704792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.704792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.704792 (E_RNA)
where:
Base-Base interactions energy: -214.592
where: short stacking energy: -92.626
Base-Backbone interact. energy: 3.119
local terms energy: -97.231719
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -20.593
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -25.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -280.338130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.338130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.338130 (E_RNA)
where:
Base-Base interactions energy: -178.563
where: short stacking energy: -82.256
Base-Backbone interact. energy: -0.741
local terms energy: -101.034329
where:
bonds (distance) C4'-P energy: -20.084
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -25.212
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: 5
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -282.187528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.187528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.187528 (E_RNA)
where:
Base-Base interactions energy: -178.240
where: short stacking energy: -85.094
Base-Backbone interact. energy: -0.076
local terms energy: -103.871877
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -23.417
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -25.352
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: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -193.119192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.119192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.119192 (E_RNA)
where:
Base-Base interactions energy: -111.823
where: short stacking energy: -64.789
Base-Backbone interact. energy: -0.433
local terms energy: -80.863069
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -10.944
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: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -174.558486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.558486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.558486 (E_RNA)
where:
Base-Base interactions energy: -99.994
where: short stacking energy: -53.627
Base-Backbone interact. energy: -0.313
local terms energy: -74.251834
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -13.951
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: 7, replica: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -112.647365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.647365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.647365 (E_RNA)
where:
Base-Base interactions energy: -38.859
where: short stacking energy: -38.123
Base-Backbone interact. energy: -0.550
local terms energy: -73.238564
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -107.988173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.988173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.988173 (E_RNA)
where:
Base-Base interactions energy: -43.881
where: short stacking energy: -40.995
Base-Backbone interact. energy: -0.807
local terms energy: -63.300105
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -103.474545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.474545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.474545 (E_RNA)
where:
Base-Base interactions energy: -44.722
where: short stacking energy: -29.087
Base-Backbone interact. energy: 0.164
local terms energy: -58.915983
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -99.239965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.239965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.239965 (E_RNA)
where:
Base-Base interactions energy: -36.549
where: short stacking energy: -35.734
Base-Backbone interact. energy: -0.222
local terms energy: -62.468793
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -23.998
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: 1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -305.465695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.465695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.465695 (E_RNA)
where:
Base-Base interactions energy: -197.766
where: short stacking energy: -91.908
Base-Backbone interact. energy: -0.559
local terms energy: -107.140343
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -24.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -299.291599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.291599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.291599 (E_RNA)
where:
Base-Base interactions energy: -202.671
where: short stacking energy: -90.159
Base-Backbone interact. energy: -0.066
local terms energy: -96.554405
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -23.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -281.226466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.226466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.226466 (E_RNA)
where:
Base-Base interactions energy: -183.885
where: short stacking energy: -83.046
Base-Backbone interact. energy: -0.362
local terms energy: -96.979707
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -24.356
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: 204
Temperature: 1.050000
Total energy: -275.287753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.287753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.287753 (E_RNA)
where:
Base-Base interactions energy: -187.246
where: short stacking energy: -85.650
Base-Backbone interact. energy: 3.096
local terms energy: -91.138259
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -23.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -183.288746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.288746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.288746 (E_RNA)
where:
Base-Base interactions energy: -106.582
where: short stacking energy: -56.097
Base-Backbone interact. energy: -0.054
local terms energy: -76.652412
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -15.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -187.796879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.796879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.796879 (E_RNA)
where:
Base-Base interactions energy: -100.861
where: short stacking energy: -64.521
Base-Backbone interact. energy: -0.134
local terms energy: -86.801143
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -132.463835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.463835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.463835 (E_RNA)
where:
Base-Base interactions energy: -54.968
where: short stacking energy: -44.412
Base-Backbone interact. energy: -0.198
local terms energy: -77.298512
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -9.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -147.127345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.127345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.127345 (E_RNA)
where:
Base-Base interactions energy: -63.011
where: short stacking energy: -46.515
Base-Backbone interact. energy: -0.422
local terms energy: -83.695113
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -14.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -106.822880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.822880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.822880 (E_RNA)
where:
Base-Base interactions energy: -42.235
where: short stacking energy: -40.299
Base-Backbone interact. energy: -0.069
local terms energy: -64.518221
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -113.169975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.169975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.169975 (E_RNA)
where:
Base-Base interactions energy: -47.432
where: short stacking energy: -46.832
Base-Backbone interact. energy: -0.236
local terms energy: -65.501462
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -303.087157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.087157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.087157 (E_RNA)
where:
Base-Base interactions energy: -199.808
where: short stacking energy: -88.702
Base-Backbone interact. energy: -0.228
local terms energy: -103.051307
where:
bonds (distance) C4'-P energy: -21.959
bonds (distance) P-C4' energy: -25.809
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -296.838475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.838475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.838475 (E_RNA)
where:
Base-Base interactions energy: -191.326
where: short stacking energy: -86.581
Base-Backbone interact. energy: -1.143
local terms energy: -104.369126
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -28.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -286.267914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.267914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.267914 (E_RNA)
where:
Base-Base interactions energy: -197.537
where: short stacking energy: -91.492
Base-Backbone interact. energy: 0.024
local terms energy: -88.754434
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -18.691
tors. eta vs tors. theta energy: -18.945
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: 9
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -264.126124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.126124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.126124 (E_RNA)
where:
Base-Base interactions energy: -173.820
where: short stacking energy: -88.844
Base-Backbone interact. energy: -0.104
local terms energy: -90.202109
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -23.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -186.015207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.015207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.015207 (E_RNA)
where:
Base-Base interactions energy: -105.615
where: short stacking energy: -47.315
Base-Backbone interact. energy: 1.671
local terms energy: -82.070949
where:
bonds (distance) C4'-P energy: -20.034
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -12.991
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: 10
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -198.267176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.267176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.267176 (E_RNA)
where:
Base-Base interactions energy: -104.303
where: short stacking energy: -68.185
Base-Backbone interact. energy: -0.369
local terms energy: -93.594875
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -17.417
tors. eta vs tors. theta energy: -16.238
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: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -131.891445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.891445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.891445 (E_RNA)
where:
Base-Base interactions energy: -61.491
where: short stacking energy: -43.130
Base-Backbone interact. energy: -0.237
local terms energy: -70.163909
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -6.590
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: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -106.143474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.143474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.143474 (E_RNA)
where:
Base-Base interactions energy: -41.615
where: short stacking energy: -34.129
Base-Backbone interact. energy: 2.754
local terms energy: -67.283330
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -1.718
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: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -108.574702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.574702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.574702 (E_RNA)
where:
Base-Base interactions energy: -47.489
where: short stacking energy: -34.283
Base-Backbone interact. energy: -1.086
local terms energy: -59.999405
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: 0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -109.998002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.998002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.998002 (E_RNA)
where:
Base-Base interactions energy: -40.839
where: short stacking energy: -24.521
Base-Backbone interact. energy: -1.653
local terms energy: -67.505906
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -3.871
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -290.806249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.806249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.806249 (E_RNA)
where:
Base-Base interactions energy: -184.089
where: short stacking energy: -84.772
Base-Backbone interact. energy: -0.190
local terms energy: -106.527511
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -17.816
tors. eta vs tors. theta energy: -24.899
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: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -290.253362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.253362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.253362 (E_RNA)
where:
Base-Base interactions energy: -184.746
where: short stacking energy: -86.707
Base-Backbone interact. energy: 0.564
local terms energy: -106.071518
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -23.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -287.663538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.663538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.663538 (E_RNA)
where:
Base-Base interactions energy: -188.030
where: short stacking energy: -91.878
Base-Backbone interact. energy: 2.465
local terms energy: -102.099154
where:
bonds (distance) C4'-P energy: -20.001
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -25.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -275.120895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.120895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.120895 (E_RNA)
where:
Base-Base interactions energy: -178.539
where: short stacking energy: -85.450
Base-Backbone interact. energy: -0.427
local terms energy: -96.154746
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -24.640
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: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -194.686899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.686899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.686899 (E_RNA)
where:
Base-Base interactions energy: -113.568
where: short stacking energy: -59.943
Base-Backbone interact. energy: -0.377
local terms energy: -80.742341
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -15.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -170.785165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.785165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.785165 (E_RNA)
where:
Base-Base interactions energy: -96.456
where: short stacking energy: -61.803
Base-Backbone interact. energy: -0.588
local terms energy: -73.741397
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -14.820
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: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -107.119286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.119286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.119286 (E_RNA)
where:
Base-Base interactions energy: -42.636
where: short stacking energy: -37.586
Base-Backbone interact. energy: 1.405
local terms energy: -65.888155
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: 0.753
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: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -107.762902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.762902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.762902 (E_RNA)
where:
Base-Base interactions energy: -46.688
where: short stacking energy: -40.193
Base-Backbone interact. energy: -0.743
local terms energy: -60.332031
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -1.818
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: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -109.304083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.304083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.304083 (E_RNA)
where:
Base-Base interactions energy: -49.301
where: short stacking energy: -33.254
Base-Backbone interact. energy: -0.612
local terms energy: -59.391377
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -1.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -104.196066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.196066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.196066 (E_RNA)
where:
Base-Base interactions energy: -38.555
where: short stacking energy: -26.703
Base-Backbone interact. energy: -1.182
local terms energy: -64.459456
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -4.024
tors. eta vs tors. theta energy: -4.563
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -296.346610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.346610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.346610 (E_RNA)
where:
Base-Base interactions energy: -185.486
where: short stacking energy: -90.045
Base-Backbone interact. energy: -0.488
local terms energy: -110.373329
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -23.197
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -27.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -300.029661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.029661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.029661 (E_RNA)
where:
Base-Base interactions energy: -198.711
where: short stacking energy: -93.897
Base-Backbone interact. energy: 1.985
local terms energy: -103.303470
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -27.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -271.551417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.551417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.551417 (E_RNA)
where:
Base-Base interactions energy: -188.475
where: short stacking energy: -81.091
Base-Backbone interact. energy: -0.585
local terms energy: -82.491530
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -20.454
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: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -270.096324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.096324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.096324 (E_RNA)
where:
Base-Base interactions energy: -187.474
where: short stacking energy: -87.531
Base-Backbone interact. energy: -0.663
local terms energy: -81.960010
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -182.852308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.852308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.852308 (E_RNA)
where:
Base-Base interactions energy: -101.891
where: short stacking energy: -57.190
Base-Backbone interact. energy: -0.766
local terms energy: -80.195498
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -13.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -130.834333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.834333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.834333 (E_RNA)
where:
Base-Base interactions energy: -56.420
where: short stacking energy: -54.691
Base-Backbone interact. energy: -0.116
local terms energy: -74.297969
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -11.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -134.141372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.141372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.141372 (E_RNA)
where:
Base-Base interactions energy: -66.144
where: short stacking energy: -40.530
Base-Backbone interact. energy: 0.192
local terms energy: -68.188520
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -3.400
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: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -107.595857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.595857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.595857 (E_RNA)
where:
Base-Base interactions energy: -39.479
where: short stacking energy: -38.019
Base-Backbone interact. energy: -1.023
local terms energy: -67.094517
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -103.122639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.122639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.122639 (E_RNA)
where:
Base-Base interactions energy: -40.721
where: short stacking energy: -40.721
Base-Backbone interact. energy: -0.183
local terms energy: -62.218180
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: 0.514
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -110.352110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.352110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.352110 (E_RNA)
where:
Base-Base interactions energy: -51.578
where: short stacking energy: -28.680
Base-Backbone interact. energy: -0.308
local terms energy: -58.466719
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: 2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -285.565257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.565257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.565257 (E_RNA)
where:
Base-Base interactions energy: -184.139
where: short stacking energy: -89.012
Base-Backbone interact. energy: -0.078
local terms energy: -101.348104
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -21.255
flat angles P-C4'-P energy: -18.185
tors. eta vs tors. theta energy: -21.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -295.474195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.474195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.474195 (E_RNA)
where:
Base-Base interactions energy: -198.626
where: short stacking energy: -87.248
Base-Backbone interact. energy: -0.431
local terms energy: -96.417016
where:
bonds (distance) C4'-P energy: -19.281
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -22.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -277.302771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.302771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.302771 (E_RNA)
where:
Base-Base interactions energy: -182.883
where: short stacking energy: -78.017
Base-Backbone interact. energy: -0.440
local terms energy: -93.979748
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -24.569
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -17.638
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: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -274.209909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.209909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.209909 (E_RNA)
where:
Base-Base interactions energy: -184.503
where: short stacking energy: -82.388
Base-Backbone interact. energy: 0.206
local terms energy: -89.913244
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -20.046
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: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -186.717582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.717582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.717582 (E_RNA)
where:
Base-Base interactions energy: -101.993
where: short stacking energy: -70.570
Base-Backbone interact. energy: -0.786
local terms energy: -83.938865
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -19.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -125.267194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.267194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.267194 (E_RNA)
where:
Base-Base interactions energy: -50.184
where: short stacking energy: -45.700
Base-Backbone interact. energy: -1.194
local terms energy: -73.889935
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -7.066
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: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -148.367373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.367373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.367373 (E_RNA)
where:
Base-Base interactions energy: -73.687
where: short stacking energy: -43.516
Base-Backbone interact. energy: -0.440
local terms energy: -74.240357
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -6.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -121.852643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.852643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.852643 (E_RNA)
where:
Base-Base interactions energy: -47.860
where: short stacking energy: -44.798
Base-Backbone interact. energy: -0.299
local terms energy: -73.693817
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -11.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -120.943559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.943559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.943559 (E_RNA)
where:
Base-Base interactions energy: -51.325
where: short stacking energy: -44.961
Base-Backbone interact. energy: -0.148
local terms energy: -69.470273
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -7.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -100.225197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.225197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.225197 (E_RNA)
where:
Base-Base interactions energy: -41.420
where: short stacking energy: -41.149
Base-Backbone interact. energy: -0.171
local terms energy: -58.634865
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -300.635903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.635903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.635903 (E_RNA)
where:
Base-Base interactions energy: -195.502
where: short stacking energy: -91.471
Base-Backbone interact. energy: -0.721
local terms energy: -104.412390
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -25.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -310.726191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.726191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.726191 (E_RNA)
where:
Base-Base interactions energy: -214.145
where: short stacking energy: -92.183
Base-Backbone interact. energy: -0.200
local terms energy: -96.381169
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -27.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -283.049510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.049510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.049510 (E_RNA)
where:
Base-Base interactions energy: -178.765
where: short stacking energy: -81.498
Base-Backbone interact. energy: -0.115
local terms energy: -104.169535
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -24.202
flat angles C4'-P-C4' energy: -22.580
flat angles P-C4'-P energy: -16.794
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -215.805662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.805662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.805662 (E_RNA)
where:
Base-Base interactions energy: -130.822
where: short stacking energy: -83.312
Base-Backbone interact. energy: -0.019
local terms energy: -84.965343
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -266.282154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.282154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.282154 (E_RNA)
where:
Base-Base interactions energy: -181.261
where: short stacking energy: -78.785
Base-Backbone interact. energy: 0.912
local terms energy: -85.933960
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -21.183
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -23.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -151.058440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.058440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.058440 (E_RNA)
where:
Base-Base interactions energy: -76.954
where: short stacking energy: -40.387
Base-Backbone interact. energy: -0.185
local terms energy: -73.919719
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -3.538
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: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -146.123376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.123376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.123376 (E_RNA)
where:
Base-Base interactions energy: -85.684
where: short stacking energy: -50.522
Base-Backbone interact. energy: -0.153
local terms energy: -60.286382
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -7.948
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: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -118.444234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.444234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.444234 (E_RNA)
where:
Base-Base interactions energy: -59.421
where: short stacking energy: -42.243
Base-Backbone interact. energy: 1.789
local terms energy: -60.812509
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -1.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -118.963185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.963185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.963185 (E_RNA)
where:
Base-Base interactions energy: -43.735
where: short stacking energy: -43.276
Base-Backbone interact. energy: -0.454
local terms energy: -74.773624
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -12.294
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: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -100.622099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.622099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.622099 (E_RNA)
where:
Base-Base interactions energy: -37.679
where: short stacking energy: -30.139
Base-Backbone interact. energy: 2.450
local terms energy: -65.393252
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -19.247
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: 1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -293.835533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.835533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.835533 (E_RNA)
where:
Base-Base interactions energy: -192.315
where: short stacking energy: -89.316
Base-Backbone interact. energy: -0.239
local terms energy: -101.282013
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -25.246
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: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -301.808702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.808702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.808702 (E_RNA)
where:
Base-Base interactions energy: -198.886
where: short stacking energy: -101.822
Base-Backbone interact. energy: -0.710
local terms energy: -102.211957
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -23.247
flat angles P-C4'-P energy: -15.469
tors. eta vs tors. theta energy: -25.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -282.688233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.688233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.688233 (E_RNA)
where:
Base-Base interactions energy: -184.978
where: short stacking energy: -87.298
Base-Backbone interact. energy: -0.149
local terms energy: -97.560388
where:
bonds (distance) C4'-P energy: -22.124
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -22.589
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -219.828046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.828046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.828046 (E_RNA)
where:
Base-Base interactions energy: -141.039
where: short stacking energy: -74.006
Base-Backbone interact. energy: -0.607
local terms energy: -78.181345
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -4.483
tors. eta vs tors. theta energy: -20.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -285.565114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.565114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.565114 (E_RNA)
where:
Base-Base interactions energy: -199.850
where: short stacking energy: -86.008
Base-Backbone interact. energy: -0.222
local terms energy: -85.492847
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -24.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -145.556157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.556157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.556157 (E_RNA)
where:
Base-Base interactions energy: -66.803
where: short stacking energy: -33.446
Base-Backbone interact. energy: -0.331
local terms energy: -78.421867
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -11.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -153.761092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.761092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.761092 (E_RNA)
where:
Base-Base interactions energy: -88.727
where: short stacking energy: -58.311
Base-Backbone interact. energy: -1.142
local terms energy: -63.891929
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -20.871
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -112.682141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.682141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.682141 (E_RNA)
where:
Base-Base interactions energy: -38.220
where: short stacking energy: -31.564
Base-Backbone interact. energy: 0.069
local terms energy: -74.531783
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -17.677
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -14.787
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: 9, replica: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -111.004917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.004917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.004917 (E_RNA)
where:
Base-Base interactions energy: -44.602
where: short stacking energy: -21.238
Base-Backbone interact. energy: 0.696
local terms energy: -67.098431
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -6.807
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: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -115.095680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.095680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.095680 (E_RNA)
where:
Base-Base interactions energy: -45.313
where: short stacking energy: -42.408
Base-Backbone interact. energy: -0.208
local terms energy: -69.574344
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -2.545
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -301.157772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.157772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.157772 (E_RNA)
where:
Base-Base interactions energy: -197.665
where: short stacking energy: -94.813
Base-Backbone interact. energy: -0.201
local terms energy: -103.291557
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -19.585
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -23.989
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: 211
Temperature: 0.950000
Total energy: -302.604970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.604970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.604970 (E_RNA)
where:
Base-Base interactions energy: -198.126
where: short stacking energy: -91.884
Base-Backbone interact. energy: -1.726
local terms energy: -102.753252
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -21.170
flat angles C4'-P-C4' energy: -22.083
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -25.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -281.211421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.211421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.211421 (E_RNA)
where:
Base-Base interactions energy: -178.379
where: short stacking energy: -88.819
Base-Backbone interact. energy: -0.484
local terms energy: -102.347821
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -17.890
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -220.122747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.122747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.122747 (E_RNA)
where:
Base-Base interactions energy: -131.127
where: short stacking energy: -77.914
Base-Backbone interact. energy: -0.728
local terms energy: -88.267748
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -20.856
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: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -263.249649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.249649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.249649 (E_RNA)
where:
Base-Base interactions energy: -181.994
where: short stacking energy: -75.840
Base-Backbone interact. energy: -1.099
local terms energy: -80.155775
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -17.069
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: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -162.776624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.776624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.776624 (E_RNA)
where:
Base-Base interactions energy: -104.321
where: short stacking energy: -54.944
Base-Backbone interact. energy: -0.169
local terms energy: -58.286364
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: 0.303
tors. eta vs tors. theta energy: -7.686
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: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -134.193619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.193619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.193619 (E_RNA)
where:
Base-Base interactions energy: -64.417
where: short stacking energy: -53.367
Base-Backbone interact. energy: 2.460
local terms energy: -72.236018
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -8.496
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: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -126.840838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.840838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.840838 (E_RNA)
where:
Base-Base interactions energy: -47.867
where: short stacking energy: -47.341
Base-Backbone interact. energy: -0.398
local terms energy: -78.575236
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -106.600395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.600395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.600395 (E_RNA)
where:
Base-Base interactions energy: -42.017
where: short stacking energy: -37.663
Base-Backbone interact. energy: -0.049
local terms energy: -64.534569
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -7.441
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: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -103.816152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.816152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.816152 (E_RNA)
where:
Base-Base interactions energy: -36.423
where: short stacking energy: -32.115
Base-Backbone interact. energy: 1.792
local terms energy: -69.185261
where:
bonds (distance) C4'-P energy: -20.857
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: 2.120
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -301.750008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.750008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.750008 (E_RNA)
where:
Base-Base interactions energy: -201.716
where: short stacking energy: -94.523
Base-Backbone interact. energy: -1.163
local terms energy: -98.870749
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -24.016
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: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -292.904754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.904754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.904754 (E_RNA)
where:
Base-Base interactions energy: -194.709
where: short stacking energy: -100.385
Base-Backbone interact. energy: -0.080
local terms energy: -98.116051
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -27.362
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: 212
Temperature: 1.000000
Total energy: -286.178002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.178002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.178002 (E_RNA)
where:
Base-Base interactions energy: -185.406
where: short stacking energy: -92.306
Base-Backbone interact. energy: -0.084
local terms energy: -100.687323
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -23.057
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -27.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -215.705094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.705094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.705094 (E_RNA)
where:
Base-Base interactions energy: -135.169
where: short stacking energy: -65.498
Base-Backbone interact. energy: -0.139
local terms energy: -80.397096
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -20.792
flat angles P-C4'-P energy: -8.987
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: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -252.835839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.835839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.835839 (E_RNA)
where:
Base-Base interactions energy: -176.297
where: short stacking energy: -73.537
Base-Backbone interact. energy: -1.087
local terms energy: -75.452117
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -148.096967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.096967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.096967 (E_RNA)
where:
Base-Base interactions energy: -72.815
where: short stacking energy: -71.380
Base-Backbone interact. energy: 1.476
local terms energy: -76.757912
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -124.664036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.664036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.664036 (E_RNA)
where:
Base-Base interactions energy: -53.944
where: short stacking energy: -46.708
Base-Backbone interact. energy: -0.167
local terms energy: -70.553147
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -6.434
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: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -124.702450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.702450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.702450 (E_RNA)
where:
Base-Base interactions energy: -56.997
where: short stacking energy: -49.376
Base-Backbone interact. energy: -0.037
local terms energy: -67.668413
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -23.641
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -117.562976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.562976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.562976 (E_RNA)
where:
Base-Base interactions energy: -58.524
where: short stacking energy: -40.629
Base-Backbone interact. energy: -0.015
local terms energy: -59.024060
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -96.459154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.459154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.459154 (E_RNA)
where:
Base-Base interactions energy: -40.013
where: short stacking energy: -38.721
Base-Backbone interact. energy: -0.494
local terms energy: -55.952181
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -10.471
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -300.110812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.110812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.110812 (E_RNA)
where:
Base-Base interactions energy: -194.041
where: short stacking energy: -94.136
Base-Backbone interact. energy: -0.668
local terms energy: -105.401841
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -21.853
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -24.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -298.819896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.819896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.819896 (E_RNA)
where:
Base-Base interactions energy: -193.274
where: short stacking energy: -104.333
Base-Backbone interact. energy: -0.111
local terms energy: -105.435391
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -26.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -273.347529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.347529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.347529 (E_RNA)
where:
Base-Base interactions energy: -175.721
where: short stacking energy: -80.407
Base-Backbone interact. energy: -0.111
local terms energy: -97.515555
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -268.132694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.132694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.132694 (E_RNA)
where:
Base-Base interactions energy: -181.486
where: short stacking energy: -77.708
Base-Backbone interact. energy: -0.485
local terms energy: -86.161473
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -19.168
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: 10
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -218.581165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.581165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.581165 (E_RNA)
where:
Base-Base interactions energy: -132.730
where: short stacking energy: -74.429
Base-Backbone interact. energy: -0.674
local terms energy: -85.177171
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -131.059993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.059993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.059993 (E_RNA)
where:
Base-Base interactions energy: -60.916
where: short stacking energy: -47.434
Base-Backbone interact. energy: -0.196
local terms energy: -69.947383
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -122.454979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.454979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.454979 (E_RNA)
where:
Base-Base interactions energy: -42.225
where: short stacking energy: -40.847
Base-Backbone interact. energy: -0.593
local terms energy: -79.636955
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -7.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -137.164705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.164705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.164705 (E_RNA)
where:
Base-Base interactions energy: -87.682
where: short stacking energy: -50.659
Base-Backbone interact. energy: -0.928
local terms energy: -48.554516
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -111.496062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.496062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.496062 (E_RNA)
where:
Base-Base interactions energy: -37.649
where: short stacking energy: -37.541
Base-Backbone interact. energy: -0.200
local terms energy: -73.647625
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -100.361968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.361968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.361968 (E_RNA)
where:
Base-Base interactions energy: -41.161
where: short stacking energy: -28.946
Base-Backbone interact. energy: -0.103
local terms energy: -59.097887
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: 3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -297.915286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.915286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.915286 (E_RNA)
where:
Base-Base interactions energy: -198.193
where: short stacking energy: -96.548
Base-Backbone interact. energy: 0.439
local terms energy: -100.162122
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -23.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -286.444873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.444873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.444873 (E_RNA)
where:
Base-Base interactions energy: -185.579
where: short stacking energy: -87.745
Base-Backbone interact. energy: -0.722
local terms energy: -100.143778
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -22.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -295.621533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.621533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.621533 (E_RNA)
where:
Base-Base interactions energy: -197.250
where: short stacking energy: -78.657
Base-Backbone interact. energy: 0.696
local terms energy: -99.067245
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -24.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -267.526774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.526774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.526774 (E_RNA)
where:
Base-Base interactions energy: -173.064
where: short stacking energy: -79.736
Base-Backbone interact. energy: -0.726
local terms energy: -93.737352
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -20.357
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -228.097654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.097654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.097654 (E_RNA)
where:
Base-Base interactions energy: -134.086
where: short stacking energy: -70.377
Base-Backbone interact. energy: -0.745
local terms energy: -93.266271
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -20.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -119.566174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.566174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.566174 (E_RNA)
where:
Base-Base interactions energy: -47.435
where: short stacking energy: -47.435
Base-Backbone interact. energy: -0.100
local terms energy: -72.031263
where:
bonds (distance) C4'-P energy: -19.548
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -130.556583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.556583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.556583 (E_RNA)
where:
Base-Base interactions energy: -66.185
where: short stacking energy: -32.750
Base-Backbone interact. energy: -0.786
local terms energy: -63.585802
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -4.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -130.397381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.397381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.397381 (E_RNA)
where:
Base-Base interactions energy: -62.361
where: short stacking energy: -33.803
Base-Backbone interact. energy: 0.635
local terms energy: -68.672052
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -112.360259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.360259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.360259 (E_RNA)
where:
Base-Base interactions energy: -53.377
where: short stacking energy: -42.826
Base-Backbone interact. energy: -0.248
local terms energy: -58.735152
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -7.746
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: 10, replica: 1
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -95.482870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.482870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.482870 (E_RNA)
where:
Base-Base interactions energy: -31.984
where: short stacking energy: -19.763
Base-Backbone interact. energy: 0.180
local terms energy: -63.678867
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: 6.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -294.517569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.517569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.517569 (E_RNA)
where:
Base-Base interactions energy: -189.136
where: short stacking energy: -78.313
Base-Backbone interact. energy: -0.089
local terms energy: -105.292263
where:
bonds (distance) C4'-P energy: -22.787
bonds (distance) P-C4' energy: -25.136
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -16.970
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -290.027293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.027293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.027293 (E_RNA)
where:
Base-Base interactions energy: -193.390
where: short stacking energy: -89.494
Base-Backbone interact. energy: -0.597
local terms energy: -96.040010
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -15.411
tors. eta vs tors. theta energy: -22.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -282.210679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.210679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.210679 (E_RNA)
where:
Base-Base interactions energy: -186.191
where: short stacking energy: -92.688
Base-Backbone interact. energy: 0.390
local terms energy: -96.409016
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -23.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -278.722260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.722260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.722260 (E_RNA)
where:
Base-Base interactions energy: -175.281
where: short stacking energy: -95.207
Base-Backbone interact. energy: -0.153
local terms energy: -103.288517
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -30.578
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: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -192.424721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.424721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.424721 (E_RNA)
where:
Base-Base interactions energy: -110.127
where: short stacking energy: -63.086
Base-Backbone interact. energy: -0.749
local terms energy: -81.548061
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -9.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -141.364404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.364404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.364404 (E_RNA)
where:
Base-Base interactions energy: -72.436
where: short stacking energy: -46.570
Base-Backbone interact. energy: -0.346
local terms energy: -68.582683
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -130.900753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.900753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.900753 (E_RNA)
where:
Base-Base interactions energy: -61.639
where: short stacking energy: -47.057
Base-Backbone interact. energy: -0.283
local terms energy: -68.978363
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -5.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -123.862100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.862100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.862100 (E_RNA)
where:
Base-Base interactions energy: -62.949
where: short stacking energy: -31.233
Base-Backbone interact. energy: -0.418
local terms energy: -60.494203
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: 0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -104.032411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.032411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.032411 (E_RNA)
where:
Base-Base interactions energy: -53.007
where: short stacking energy: -39.193
Base-Backbone interact. energy: -0.360
local terms energy: -50.665197
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -0.715
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: 10, replica: 1
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -102.192555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.192555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.192555 (E_RNA)
where:
Base-Base interactions energy: -33.702
where: short stacking energy: -33.060
Base-Backbone interact. energy: -0.103
local terms energy: -68.387679
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -298.329380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.329380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.329380 (E_RNA)
where:
Base-Base interactions energy: -205.813
where: short stacking energy: -101.287
Base-Backbone interact. energy: -0.318
local terms energy: -92.198587
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -22.967
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: 5
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -297.079496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.079496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.079496 (E_RNA)
where:
Base-Base interactions energy: -201.194
where: short stacking energy: -91.061
Base-Backbone interact. energy: -1.238
local terms energy: -94.648024
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -21.221
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -24.398
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: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -283.024659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.024659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.024659 (E_RNA)
where:
Base-Base interactions energy: -180.317
where: short stacking energy: -94.039
Base-Backbone interact. energy: -0.054
local terms energy: -102.653713
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -22.601
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -28.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -263.562545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.562545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.562545 (E_RNA)
where:
Base-Base interactions energy: -177.627
where: short stacking energy: -83.513
Base-Backbone interact. energy: -0.921
local terms energy: -85.014527
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -22.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -162.334707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.334707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.334707 (E_RNA)
where:
Base-Base interactions energy: -77.740
where: short stacking energy: -49.401
Base-Backbone interact. energy: -1.697
local terms energy: -82.897828
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -12.433
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: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -184.239522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.239522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.239522 (E_RNA)
where:
Base-Base interactions energy: -110.597
where: short stacking energy: -49.685
Base-Backbone interact. energy: 1.127
local terms energy: -74.769279
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -7.616
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: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -134.082917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.082917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.082917 (E_RNA)
where:
Base-Base interactions energy: -55.441
where: short stacking energy: -54.163
Base-Backbone interact. energy: -0.003
local terms energy: -78.638589
where:
bonds (distance) C4'-P energy: -17.202
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -168.999653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.999653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.999653 (E_RNA)
where:
Base-Base interactions energy: -88.691
where: short stacking energy: -41.736
Base-Backbone interact. energy: -0.039
local terms energy: -80.269472
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -17.261
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -104.884240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.884240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.884240 (E_RNA)
where:
Base-Base interactions energy: -39.505
where: short stacking energy: -39.301
Base-Backbone interact. energy: 1.179
local terms energy: -66.558378
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -18.744
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -95.815947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.815947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.815947 (E_RNA)
where:
Base-Base interactions energy: -43.999
where: short stacking energy: -28.659
Base-Backbone interact. energy: -0.282
local terms energy: -51.534883
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: 0.187
tors. eta vs tors. theta energy: 5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -295.221040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.221040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.221040 (E_RNA)
where:
Base-Base interactions energy: -198.440
where: short stacking energy: -95.636
Base-Backbone interact. energy: 0.150
local terms energy: -96.932012
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -17.207
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: 6
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -301.585818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.585818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.585818 (E_RNA)
where:
Base-Base interactions energy: -194.947
where: short stacking energy: -102.666
Base-Backbone interact. energy: 0.529
local terms energy: -107.167862
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -28.313
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: 217
Temperature: 1.000000
Total energy: -300.849474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.849474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.849474 (E_RNA)
where:
Base-Base interactions energy: -204.897
where: short stacking energy: -96.467
Base-Backbone interact. energy: 0.493
local terms energy: -96.446022
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -22.838
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -26.632
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: 217
Temperature: 1.050000
Total energy: -271.411243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.411243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.411243 (E_RNA)
where:
Base-Base interactions energy: -177.004
where: short stacking energy: -89.451
Base-Backbone interact. energy: -1.218
local terms energy: -93.189372
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -20.708
flat angles C4'-P-C4' energy: -22.897
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -26.524
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: 217
Temperature: 1.100000
Total energy: -136.219225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.219225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.219225 (E_RNA)
where:
Base-Base interactions energy: -65.109
where: short stacking energy: -55.163
Base-Backbone interact. energy: -0.350
local terms energy: -70.759941
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -8.910
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: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -201.567529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.567529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.567529 (E_RNA)
where:
Base-Base interactions energy: -123.861
where: short stacking energy: -69.115
Base-Backbone interact. energy: -0.208
local terms energy: -77.498342
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -11.822
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: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -131.882809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.882809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.882809 (E_RNA)
where:
Base-Base interactions energy: -56.360
where: short stacking energy: -54.979
Base-Backbone interact. energy: 0.684
local terms energy: -76.206944
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -11.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -122.539700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.539700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.539700 (E_RNA)
where:
Base-Base interactions energy: -56.965
where: short stacking energy: -53.349
Base-Backbone interact. energy: -0.089
local terms energy: -65.484829
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -7.534
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: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -152.687562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.687562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.687562 (E_RNA)
where:
Base-Base interactions energy: -82.586
where: short stacking energy: -37.847
Base-Backbone interact. energy: 1.619
local terms energy: -71.720958
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -110.079698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.079698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.079698 (E_RNA)
where:
Base-Base interactions energy: -46.306
where: short stacking energy: -46.306
Base-Backbone interact. energy: -0.163
local terms energy: -63.611309
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -2.860
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -300.520422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.520422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.520422 (E_RNA)
where:
Base-Base interactions energy: -194.687
where: short stacking energy: -97.243
Base-Backbone interact. energy: -0.066
local terms energy: -105.767589
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -27.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -290.525953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.525953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.525953 (E_RNA)
where:
Base-Base interactions energy: -191.881
where: short stacking energy: -91.363
Base-Backbone interact. energy: -0.526
local terms energy: -98.119508
where:
bonds (distance) C4'-P energy: -22.430
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -23.258
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -22.845
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: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -284.645958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.645958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.645958 (E_RNA)
where:
Base-Base interactions energy: -182.708
where: short stacking energy: -86.761
Base-Backbone interact. energy: 0.228
local terms energy: -102.165847
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -22.049
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: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -265.129699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.129699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.129699 (E_RNA)
where:
Base-Base interactions energy: -169.284
where: short stacking energy: -80.431
Base-Backbone interact. energy: -0.058
local terms energy: -95.787690
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -22.903
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -185.066180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.066180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.066180 (E_RNA)
where:
Base-Base interactions energy: -107.902
where: short stacking energy: -67.450
Base-Backbone interact. energy: -0.211
local terms energy: -76.952526
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -9.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -128.387318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.387318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.387318 (E_RNA)
where:
Base-Base interactions energy: -58.672
where: short stacking energy: -39.573
Base-Backbone interact. energy: -0.812
local terms energy: -68.902863
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -119.054280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.054280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.054280 (E_RNA)
where:
Base-Base interactions energy: -46.850
where: short stacking energy: -39.075
Base-Backbone interact. energy: -2.380
local terms energy: -69.824338
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -119.180770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.180770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.180770 (E_RNA)
where:
Base-Base interactions energy: -49.515
where: short stacking energy: -47.480
Base-Backbone interact. energy: -0.202
local terms energy: -69.463996
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -111.837551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.837551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.837551 (E_RNA)
where:
Base-Base interactions energy: -42.027
where: short stacking energy: -39.734
Base-Backbone interact. energy: 1.640
local terms energy: -71.450444
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -109.843883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.843883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.843883 (E_RNA)
where:
Base-Base interactions energy: -38.491
where: short stacking energy: -36.961
Base-Backbone interact. energy: -0.220
local terms energy: -71.133757
where:
bonds (distance) C4'-P energy: -21.085
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -4.064
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -300.739269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.739269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.739269 (E_RNA)
where:
Base-Base interactions energy: -194.886
where: short stacking energy: -97.458
Base-Backbone interact. energy: -0.433
local terms energy: -105.420431
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -24.047
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -24.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -287.202989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.202989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.202989 (E_RNA)
where:
Base-Base interactions energy: -199.375
where: short stacking energy: -90.377
Base-Backbone interact. energy: -0.104
local terms energy: -87.723705
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -21.474
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -293.599365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.599365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.599365 (E_RNA)
where:
Base-Base interactions energy: -197.501
where: short stacking energy: -91.094
Base-Backbone interact. energy: 0.079
local terms energy: -96.177229
where:
bonds (distance) C4'-P energy: -21.451
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -279.456688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.456688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.456688 (E_RNA)
where:
Base-Base interactions energy: -176.285
where: short stacking energy: -80.655
Base-Backbone interact. energy: 0.191
local terms energy: -103.362985
where:
bonds (distance) C4'-P energy: -19.908
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -22.341
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -22.890
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: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -212.440195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.440195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.440195 (E_RNA)
where:
Base-Base interactions energy: -130.580
where: short stacking energy: -71.899
Base-Backbone interact. energy: -0.007
local terms energy: -81.853839
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -10.744
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: 6, replica: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -121.466265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.466265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.466265 (E_RNA)
where:
Base-Base interactions energy: -56.192
where: short stacking energy: -56.337
Base-Backbone interact. energy: -0.820
local terms energy: -64.453493
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -111.886403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.886403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.886403 (E_RNA)
where:
Base-Base interactions energy: -47.065
where: short stacking energy: -46.187
Base-Backbone interact. energy: -1.373
local terms energy: -63.449056
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -8.387
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: 8, replica: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -124.433630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.433630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.433630 (E_RNA)
where:
Base-Base interactions energy: -62.126
where: short stacking energy: -39.634
Base-Backbone interact. energy: 0.063
local terms energy: -62.371084
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -3.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -109.808361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.808361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.808361 (E_RNA)
where:
Base-Base interactions energy: -44.368
where: short stacking energy: -34.492
Base-Backbone interact. energy: 0.213
local terms energy: -65.653555
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -102.874772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.874772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.874772 (E_RNA)
where:
Base-Base interactions energy: -53.124
where: short stacking energy: -42.552
Base-Backbone interact. energy: 0.217
local terms energy: -49.968015
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -1.948
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -4.842
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -289.979580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.979580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.979580 (E_RNA)
where:
Base-Base interactions energy: -197.362
where: short stacking energy: -84.372
Base-Backbone interact. energy: -0.172
local terms energy: -92.445299
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -20.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -286.665226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.665226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.665226 (E_RNA)
where:
Base-Base interactions energy: -185.162
where: short stacking energy: -95.394
Base-Backbone interact. energy: -0.082
local terms energy: -101.422091
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -27.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -286.163199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.163199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.163199 (E_RNA)
where:
Base-Base interactions energy: -189.568
where: short stacking energy: -87.347
Base-Backbone interact. energy: 0.699
local terms energy: -97.294767
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -21.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -271.972687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.972687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.972687 (E_RNA)
where:
Base-Base interactions energy: -184.030
where: short stacking energy: -81.444
Base-Backbone interact. energy: -0.119
local terms energy: -87.824022
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -22.052
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -14.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -227.285785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.285785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.285785 (E_RNA)
where:
Base-Base interactions energy: -140.195
where: short stacking energy: -66.577
Base-Backbone interact. energy: -0.742
local terms energy: -86.348378
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -15.213
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -163.755734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.755734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.755734 (E_RNA)
where:
Base-Base interactions energy: -96.108
where: short stacking energy: -59.729
Base-Backbone interact. energy: -0.251
local terms energy: -67.396683
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -10.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -110.001769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.001769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.001769 (E_RNA)
where:
Base-Base interactions energy: -44.289
where: short stacking energy: -29.785
Base-Backbone interact. energy: -0.170
local terms energy: -65.542144
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -3.671
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -114.798655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.798655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.798655 (E_RNA)
where:
Base-Base interactions energy: -37.204
where: short stacking energy: -35.414
Base-Backbone interact. energy: -0.090
local terms energy: -77.504938
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -96.606912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.606912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.606912 (E_RNA)
where:
Base-Base interactions energy: -47.247
where: short stacking energy: -45.518
Base-Backbone interact. energy: 1.934
local terms energy: -51.294044
where:
bonds (distance) C4'-P energy: -8.963
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -11.126
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: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -99.571122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.571122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.571122 (E_RNA)
where:
Base-Base interactions energy: -41.565
where: short stacking energy: -40.025
Base-Backbone interact. energy: 0.860
local terms energy: -58.865930
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -9.297
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -291.931583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.931583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.931583 (E_RNA)
where:
Base-Base interactions energy: -193.149
where: short stacking energy: -86.573
Base-Backbone interact. energy: -1.647
local terms energy: -97.135491
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -18.540
flat angles C4'-P-C4' energy: -23.657
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -24.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -290.676415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.676415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.676415 (E_RNA)
where:
Base-Base interactions energy: -188.410
where: short stacking energy: -92.101
Base-Backbone interact. energy: -0.118
local terms energy: -102.148826
where:
bonds (distance) C4'-P energy: -23.611
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -26.962
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: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -279.249671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.249671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.249671 (E_RNA)
where:
Base-Base interactions energy: -176.709
where: short stacking energy: -78.712
Base-Backbone interact. energy: 0.019
local terms energy: -102.559950
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -21.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -269.912891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.912891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.912891 (E_RNA)
where:
Base-Base interactions energy: -173.886
where: short stacking energy: -63.553
Base-Backbone interact. energy: -1.185
local terms energy: -94.841047
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -17.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -184.931845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.931845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.931845 (E_RNA)
where:
Base-Base interactions energy: -109.341
where: short stacking energy: -55.976
Base-Backbone interact. energy: 3.314
local terms energy: -78.905045
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -11.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -158.512367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.512367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.512367 (E_RNA)
where:
Base-Base interactions energy: -91.283
where: short stacking energy: -60.376
Base-Backbone interact. energy: -0.683
local terms energy: -66.546828
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -121.125628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.125628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.125628 (E_RNA)
where:
Base-Base interactions energy: -55.658
where: short stacking energy: -55.337
Base-Backbone interact. energy: -0.366
local terms energy: -65.102038
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -6.772
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: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -108.502816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.502816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.502816 (E_RNA)
where:
Base-Base interactions energy: -43.543
where: short stacking energy: -36.126
Base-Backbone interact. energy: -0.419
local terms energy: -64.541289
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: 0.415
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: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -107.327950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.327950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.327950 (E_RNA)
where:
Base-Base interactions energy: -42.751
where: short stacking energy: -42.307
Base-Backbone interact. energy: -0.124
local terms energy: -64.453163
where:
bonds (distance) C4'-P energy: -19.852
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -3.464
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: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -101.334823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.334823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.334823 (E_RNA)
where:
Base-Base interactions energy: -29.522
where: short stacking energy: -27.894
Base-Backbone interact. energy: -0.218
local terms energy: -71.594675
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -24.558
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: 0.052
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -302.934091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.934091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.934091 (E_RNA)
where:
Base-Base interactions energy: -199.277
where: short stacking energy: -97.103
Base-Backbone interact. energy: -0.141
local terms energy: -103.515593
where:
bonds (distance) C4'-P energy: -20.134
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -28.822
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: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -286.933055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.933055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.933055 (E_RNA)
where:
Base-Base interactions energy: -188.784
where: short stacking energy: -82.611
Base-Backbone interact. energy: -0.367
local terms energy: -97.782243
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -23.305
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -21.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -275.073566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.073566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.073566 (E_RNA)
where:
Base-Base interactions energy: -177.618
where: short stacking energy: -78.646
Base-Backbone interact. energy: -0.490
local terms energy: -96.965207
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -23.385
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: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -277.220651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.220651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.220651 (E_RNA)
where:
Base-Base interactions energy: -182.256
where: short stacking energy: -86.064
Base-Backbone interact. energy: -0.071
local terms energy: -94.893691
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -22.139
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -22.700
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: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -189.996443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.996443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.996443 (E_RNA)
where:
Base-Base interactions energy: -109.540
where: short stacking energy: -58.316
Base-Backbone interact. energy: -0.186
local terms energy: -80.270644
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -8.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -178.010541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.010541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.010541 (E_RNA)
where:
Base-Base interactions energy: -111.573
where: short stacking energy: -60.694
Base-Backbone interact. energy: 0.260
local terms energy: -66.697633
where:
bonds (distance) C4'-P energy: -19.329
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -6.260
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: 7, replica: 3
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -124.107910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.107910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.107910 (E_RNA)
where:
Base-Base interactions energy: -53.992
where: short stacking energy: -37.749
Base-Backbone interact. energy: 0.658
local terms energy: -70.774725
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -4.552
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: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -112.153503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.153503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.153503 (E_RNA)
where:
Base-Base interactions energy: -51.177
where: short stacking energy: -33.582
Base-Backbone interact. energy: -0.638
local terms energy: -60.338659
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -104.593151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.593151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.593151 (E_RNA)
where:
Base-Base interactions energy: -39.559
where: short stacking energy: -32.685
Base-Backbone interact. energy: -0.052
local terms energy: -64.981778
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -3.743
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: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -89.180186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.180186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.180186 (E_RNA)
where:
Base-Base interactions energy: -23.826
where: short stacking energy: -21.036
Base-Backbone interact. energy: -0.478
local terms energy: -64.875939
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -24.153
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: 5.828
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -296.963387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.963387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.963387 (E_RNA)
where:
Base-Base interactions energy: -201.605
where: short stacking energy: -96.470
Base-Backbone interact. energy: -0.100
local terms energy: -95.258007
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -294.217367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.217367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.217367 (E_RNA)
where:
Base-Base interactions energy: -191.508
where: short stacking energy: -93.255
Base-Backbone interact. energy: -0.152
local terms energy: -102.557684
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -16.411
tors. eta vs tors. theta energy: -23.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -279.605517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.605517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.605517 (E_RNA)
where:
Base-Base interactions energy: -184.248
where: short stacking energy: -84.235
Base-Backbone interact. energy: -0.547
local terms energy: -94.810229
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: -24.277
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: 223
Temperature: 1.050000
Total energy: -288.557139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.557139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.557139 (E_RNA)
where:
Base-Base interactions energy: -193.656
where: short stacking energy: -91.228
Base-Backbone interact. energy: -1.181
local terms energy: -93.720555
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -23.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -199.923074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.923074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.923074 (E_RNA)
where:
Base-Base interactions energy: -121.868
where: short stacking energy: -63.714
Base-Backbone interact. energy: -0.056
local terms energy: -77.999134
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -15.989
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: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -152.438001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.438001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.438001 (E_RNA)
where:
Base-Base interactions energy: -77.619
where: short stacking energy: -45.418
Base-Backbone interact. energy: -0.217
local terms energy: -74.601901
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -130.244911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.244911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.244911 (E_RNA)
where:
Base-Base interactions energy: -47.010
where: short stacking energy: -47.010
Base-Backbone interact. energy: -0.021
local terms energy: -83.213506
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -21.943
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -12.820
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: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -118.271674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.271674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.271674 (E_RNA)
where:
Base-Base interactions energy: -50.836
where: short stacking energy: -36.557
Base-Backbone interact. energy: -0.277
local terms energy: -67.158565
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -8.848
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: 9, replica: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -100.236597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.236597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.236597 (E_RNA)
where:
Base-Base interactions energy: -43.370
where: short stacking energy: -25.847
Base-Backbone interact. energy: -0.329
local terms energy: -56.537512
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -19.571
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -9.735
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: 10, replica: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -109.077369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.077369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.077369 (E_RNA)
where:
Base-Base interactions energy: -42.434
where: short stacking energy: -35.099
Base-Backbone interact. energy: -0.531
local terms energy: -66.112546
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -5.173
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -297.243467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.243467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.243467 (E_RNA)
where:
Base-Base interactions energy: -202.386
where: short stacking energy: -95.725
Base-Backbone interact. energy: -0.231
local terms energy: -94.626163
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -301.129116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.129116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.129116 (E_RNA)
where:
Base-Base interactions energy: -198.766
where: short stacking energy: -93.561
Base-Backbone interact. energy: -0.279
local terms energy: -102.084298
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -23.346
flat angles P-C4'-P energy: -17.479
tors. eta vs tors. theta energy: -25.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -286.312384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.312384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.312384 (E_RNA)
where:
Base-Base interactions energy: -196.621
where: short stacking energy: -86.425
Base-Backbone interact. energy: -0.738
local terms energy: -88.953873
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -23.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -271.253274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.253274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.253274 (E_RNA)
where:
Base-Base interactions energy: -181.575
where: short stacking energy: -83.144
Base-Backbone interact. energy: -0.462
local terms energy: -89.216366
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -196.934435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.934435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.934435 (E_RNA)
where:
Base-Base interactions energy: -109.953
where: short stacking energy: -56.543
Base-Backbone interact. energy: -0.238
local terms energy: -86.743001
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -12.760
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: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -161.017463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.017463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.017463 (E_RNA)
where:
Base-Base interactions energy: -84.123
where: short stacking energy: -56.515
Base-Backbone interact. energy: -0.381
local terms energy: -76.512957
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -10.194
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: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -122.028453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.028453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.028453 (E_RNA)
where:
Base-Base interactions energy: -49.222
where: short stacking energy: -46.617
Base-Backbone interact. energy: 3.134
local terms energy: -75.939809
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -16.172
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: 8, replica: 3
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -120.233848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.233848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.233848 (E_RNA)
where:
Base-Base interactions energy: -47.552
where: short stacking energy: -28.919
Base-Backbone interact. energy: -0.258
local terms energy: -72.424365
where:
bonds (distance) C4'-P energy: -21.570
bonds (distance) P-C4' energy: -21.928
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: 1.593
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: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -123.541679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.541679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.541679 (E_RNA)
where:
Base-Base interactions energy: -56.855
where: short stacking energy: -49.083
Base-Backbone interact. energy: 0.168
local terms energy: -66.854187
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -100.602122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.602122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.602122 (E_RNA)
where:
Base-Base interactions energy: -30.638
where: short stacking energy: -26.851
Base-Backbone interact. energy: -0.130
local terms energy: -69.833394
where:
bonds (distance) C4'-P energy: -20.353
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -298.943602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.943602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.943602 (E_RNA)
where:
Base-Base interactions energy: -197.716
where: short stacking energy: -83.851
Base-Backbone interact. energy: -1.029
local terms energy: -100.197790
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -24.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -299.729953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.729953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.729953 (E_RNA)
where:
Base-Base interactions energy: -193.935
where: short stacking energy: -93.482
Base-Backbone interact. energy: -0.135
local terms energy: -105.659517
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -23.279
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -26.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -291.143076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.143076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.143076 (E_RNA)
where:
Base-Base interactions energy: -204.078
where: short stacking energy: -79.932
Base-Backbone interact. energy: 0.012
local terms energy: -87.077556
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -23.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -280.822886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.822886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.822886 (E_RNA)
where:
Base-Base interactions energy: -188.641
where: short stacking energy: -91.165
Base-Backbone interact. energy: -1.026
local terms energy: -91.155112
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -22.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -221.899398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.899398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.899398 (E_RNA)
where:
Base-Base interactions energy: -133.061
where: short stacking energy: -71.732
Base-Backbone interact. energy: -0.057
local terms energy: -88.780962
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -157.459519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.459519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.459519 (E_RNA)
where:
Base-Base interactions energy: -79.762
where: short stacking energy: -46.207
Base-Backbone interact. energy: -0.171
local terms energy: -77.525757
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -10.104
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: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -146.806856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.806856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.806856 (E_RNA)
where:
Base-Base interactions energy: -75.560
where: short stacking energy: -46.717
Base-Backbone interact. energy: -0.169
local terms energy: -71.077959
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -6.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -125.782088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.782088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.782088 (E_RNA)
where:
Base-Base interactions energy: -59.656
where: short stacking energy: -45.275
Base-Backbone interact. energy: -0.399
local terms energy: -65.726662
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -9.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -104.957761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.957761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.957761 (E_RNA)
where:
Base-Base interactions energy: -36.003
where: short stacking energy: -36.003
Base-Backbone interact. energy: -0.215
local terms energy: -68.739660
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -6.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -101.981782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.981782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.981782 (E_RNA)
where:
Base-Base interactions energy: -44.786
where: short stacking energy: -24.941
Base-Backbone interact. energy: -0.453
local terms energy: -56.742281
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -0.770
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -305.509107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.509107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.509107 (E_RNA)
where:
Base-Base interactions energy: -208.747
where: short stacking energy: -94.070
Base-Backbone interact. energy: -0.271
local terms energy: -96.491350
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -23.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -303.997033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.997033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.997033 (E_RNA)
where:
Base-Base interactions energy: -196.611
where: short stacking energy: -89.616
Base-Backbone interact. energy: -0.507
local terms energy: -106.879512
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -22.851
flat angles P-C4'-P energy: -17.477
tors. eta vs tors. theta energy: -23.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -282.543988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.543988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.543988 (E_RNA)
where:
Base-Base interactions energy: -197.425
where: short stacking energy: -96.058
Base-Backbone interact. energy: 0.566
local terms energy: -85.685265
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -21.903
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -23.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -279.554832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.554832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.554832 (E_RNA)
where:
Base-Base interactions energy: -179.793
where: short stacking energy: -76.873
Base-Backbone interact. energy: -0.482
local terms energy: -99.279774
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -20.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -196.354477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.354477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.354477 (E_RNA)
where:
Base-Base interactions energy: -111.479
where: short stacking energy: -56.578
Base-Backbone interact. energy: 2.024
local terms energy: -86.900136
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -193.939673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.939673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.939673 (E_RNA)
where:
Base-Base interactions energy: -112.697
where: short stacking energy: -55.027
Base-Backbone interact. energy: -0.385
local terms energy: -80.857169
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -18.874
flat angles P-C4'-P energy: -14.399
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: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -124.125672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.125672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.125672 (E_RNA)
where:
Base-Base interactions energy: -65.466
where: short stacking energy: -35.959
Base-Backbone interact. energy: 0.561
local terms energy: -59.220535
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: 2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -112.970550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.970550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.970550 (E_RNA)
where:
Base-Base interactions energy: -42.590
where: short stacking energy: -36.115
Base-Backbone interact. energy: 0.199
local terms energy: -70.579242
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: 0.692
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: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -106.631445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.631445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.631445 (E_RNA)
where:
Base-Base interactions energy: -50.392
where: short stacking energy: -22.578
Base-Backbone interact. energy: -0.355
local terms energy: -55.884548
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: 4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -107.641169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.641169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.641169 (E_RNA)
where:
Base-Base interactions energy: -40.277
where: short stacking energy: -34.327
Base-Backbone interact. energy: 0.422
local terms energy: -67.786407
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -7.698
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -311.491728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.491728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.491728 (E_RNA)
where:
Base-Base interactions energy: -202.005
where: short stacking energy: -94.736
Base-Backbone interact. energy: -0.083
local terms energy: -109.404211
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -19.186
tors. eta vs tors. theta energy: -26.096
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: 227
Temperature: 0.950000
Total energy: -295.623579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.623579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.623579 (E_RNA)
where:
Base-Base interactions energy: -197.215
where: short stacking energy: -90.311
Base-Backbone interact. energy: -0.207
local terms energy: -98.202136
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -26.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -291.572049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.572049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.572049 (E_RNA)
where:
Base-Base interactions energy: -193.288
where: short stacking energy: -97.999
Base-Backbone interact. energy: -0.025
local terms energy: -98.258939
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -20.607
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -27.757
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: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -285.019020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.019020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.019020 (E_RNA)
where:
Base-Base interactions energy: -189.242
where: short stacking energy: -78.721
Base-Backbone interact. energy: -1.562
local terms energy: -94.215049
where:
bonds (distance) C4'-P energy: -21.177
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -174.661511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.661511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.661511 (E_RNA)
where:
Base-Base interactions energy: -101.201
where: short stacking energy: -44.860
Base-Backbone interact. energy: -0.896
local terms energy: -72.563951
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -14.027
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: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -192.045418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.045418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.045418 (E_RNA)
where:
Base-Base interactions energy: -115.340
where: short stacking energy: -65.174
Base-Backbone interact. energy: -0.548
local terms energy: -76.157423
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -14.170
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: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -134.581631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.581631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.581631 (E_RNA)
where:
Base-Base interactions energy: -58.729
where: short stacking energy: -54.892
Base-Backbone interact. energy: -0.173
local terms energy: -75.680492
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -10.311
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: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -116.820523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.820523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.820523 (E_RNA)
where:
Base-Base interactions energy: -66.742
where: short stacking energy: -45.293
Base-Backbone interact. energy: -0.085
local terms energy: -49.993508
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -6.008
flat angles P-C4'-P energy: -5.415
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -115.419168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.419168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.419168 (E_RNA)
where:
Base-Base interactions energy: -55.365
where: short stacking energy: -51.661
Base-Backbone interact. energy: -0.578
local terms energy: -59.476489
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -8.961
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: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -106.831945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.831945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.831945 (E_RNA)
where:
Base-Base interactions energy: -50.946
where: short stacking energy: -30.974
Base-Backbone interact. energy: -0.020
local terms energy: -55.866174
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -297.513792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.513792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.513792 (E_RNA)
where:
Base-Base interactions energy: -200.129
where: short stacking energy: -100.394
Base-Backbone interact. energy: -0.667
local terms energy: -96.717117
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -27.780
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: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -301.584854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.584854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.584854 (E_RNA)
where:
Base-Base interactions energy: -195.629
where: short stacking energy: -86.864
Base-Backbone interact. energy: -0.779
local terms energy: -105.176882
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -22.421
flat angles C4'-P-C4' energy: -21.378
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -25.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -303.793490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.793490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.793490 (E_RNA)
where:
Base-Base interactions energy: -204.997
where: short stacking energy: -82.175
Base-Backbone interact. energy: -0.936
local terms energy: -97.859932
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -27.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -275.552421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.552421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.552421 (E_RNA)
where:
Base-Base interactions energy: -179.781
where: short stacking energy: -87.944
Base-Backbone interact. energy: -0.849
local terms energy: -94.922271
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -15.033
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: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -202.762165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.762165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.762165 (E_RNA)
where:
Base-Base interactions energy: -118.281
where: short stacking energy: -59.477
Base-Backbone interact. energy: -0.266
local terms energy: -84.215563
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -9.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -178.881207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.881207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.881207 (E_RNA)
where:
Base-Base interactions energy: -96.968
where: short stacking energy: -59.319
Base-Backbone interact. energy: -0.022
local terms energy: -81.891403
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -119.049874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.049874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.049874 (E_RNA)
where:
Base-Base interactions energy: -46.753
where: short stacking energy: -46.688
Base-Backbone interact. energy: -1.254
local terms energy: -71.043046
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -114.437533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.437533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.437533 (E_RNA)
where:
Base-Base interactions energy: -47.924
where: short stacking energy: -33.384
Base-Backbone interact. energy: 0.727
local terms energy: -67.240197
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -10.695
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: 9, replica: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -110.217731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.217731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.217731 (E_RNA)
where:
Base-Base interactions energy: -40.293
where: short stacking energy: -28.095
Base-Backbone interact. energy: -0.429
local terms energy: -69.495708
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -21.362
flat angles P-C4'-P energy: -6.731
tors. eta vs tors. theta energy: -3.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -96.778870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.778870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.778870 (E_RNA)
where:
Base-Base interactions energy: -37.117
where: short stacking energy: -35.010
Base-Backbone interact. energy: -0.119
local terms energy: -59.542611
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -3.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -311.605551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.605551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.605551 (E_RNA)
where:
Base-Base interactions energy: -198.975
where: short stacking energy: -99.099
Base-Backbone interact. energy: -0.061
local terms energy: -112.569817
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -30.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -304.616071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.616071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.616071 (E_RNA)
where:
Base-Base interactions energy: -205.320
where: short stacking energy: -89.503
Base-Backbone interact. energy: -0.782
local terms energy: -98.513691
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -22.520
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -27.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -303.533737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.533737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.533737 (E_RNA)
where:
Base-Base interactions energy: -200.297
where: short stacking energy: -93.113
Base-Backbone interact. energy: -0.597
local terms energy: -102.639722
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -21.087
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -26.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -268.570804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.570804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.570804 (E_RNA)
where:
Base-Base interactions energy: -169.700
where: short stacking energy: -73.406
Base-Backbone interact. energy: -0.332
local terms energy: -98.539618
where:
bonds (distance) C4'-P energy: -22.114
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -21.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -198.420838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.420838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.420838 (E_RNA)
where:
Base-Base interactions energy: -120.558
where: short stacking energy: -71.453
Base-Backbone interact. energy: -1.885
local terms energy: -75.977609
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -12.585
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: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -133.319952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.319952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.319952 (E_RNA)
where:
Base-Base interactions energy: -57.818
where: short stacking energy: -55.415
Base-Backbone interact. energy: -0.162
local terms energy: -75.340049
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -116.566668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.566668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.566668 (E_RNA)
where:
Base-Base interactions energy: -49.863
where: short stacking energy: -49.863
Base-Backbone interact. energy: -0.171
local terms energy: -66.532972
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -19.273
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -2.358
tors. eta vs tors. theta energy: -10.091
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: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -137.819497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.819497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.819497 (E_RNA)
where:
Base-Base interactions energy: -66.113
where: short stacking energy: -44.091
Base-Backbone interact. energy: -0.190
local terms energy: -71.517073
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -13.536
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: 9, replica: 3
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -103.374302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.374302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.374302 (E_RNA)
where:
Base-Base interactions energy: -36.204
where: short stacking energy: -34.858
Base-Backbone interact. energy: -0.262
local terms energy: -66.908563
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -9.828
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: 10, replica: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -97.978733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.978733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.978733 (E_RNA)
where:
Base-Base interactions energy: -41.847
where: short stacking energy: -38.882
Base-Backbone interact. energy: -1.165
local terms energy: -54.967286
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -3.305
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -306.083630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.083630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.083630 (E_RNA)
where:
Base-Base interactions energy: -205.774
where: short stacking energy: -101.276
Base-Backbone interact. energy: -0.858
local terms energy: -99.451994
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -28.186
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: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -296.540197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.540197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.540197 (E_RNA)
where:
Base-Base interactions energy: -203.787
where: short stacking energy: -90.031
Base-Backbone interact. energy: 0.054
local terms energy: -92.807484
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -26.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -302.273969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.273969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.273969 (E_RNA)
where:
Base-Base interactions energy: -197.677
where: short stacking energy: -95.234
Base-Backbone interact. energy: -0.945
local terms energy: -103.651748
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -25.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -292.110890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.110890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.110890 (E_RNA)
where:
Base-Base interactions energy: -193.630
where: short stacking energy: -87.888
Base-Backbone interact. energy: -0.228
local terms energy: -98.253008
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -22.976
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -25.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -202.112637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.112637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.112637 (E_RNA)
where:
Base-Base interactions energy: -121.700
where: short stacking energy: -72.903
Base-Backbone interact. energy: -1.337
local terms energy: -79.074739
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -156.027207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.027207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.027207 (E_RNA)
where:
Base-Base interactions energy: -82.970
where: short stacking energy: -55.935
Base-Backbone interact. energy: -0.050
local terms energy: -73.006325
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -4.916
tors. eta vs tors. theta energy: -11.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -188.378746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.378746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.378746 (E_RNA)
where:
Base-Base interactions energy: -102.287
where: short stacking energy: -64.517
Base-Backbone interact. energy: -0.020
local terms energy: -86.072012
where:
bonds (distance) C4'-P energy: -21.350
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -117.425891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.425891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.425891 (E_RNA)
where:
Base-Base interactions energy: -39.223
where: short stacking energy: -39.223
Base-Backbone interact. energy: -0.373
local terms energy: -77.830807
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -9.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -113.501537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.501537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.501537 (E_RNA)
where:
Base-Base interactions energy: -47.548
where: short stacking energy: -37.125
Base-Backbone interact. energy: -0.178
local terms energy: -65.775391
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -8.105
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -127.196967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.196967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.196967 (E_RNA)
where:
Base-Base interactions energy: -62.166
where: short stacking energy: -42.774
Base-Backbone interact. energy: -0.245
local terms energy: -64.785294
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -1.236
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -289.714175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.714175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.714175 (E_RNA)
where:
Base-Base interactions energy: -186.242
where: short stacking energy: -82.065
Base-Backbone interact. energy: 0.126
local terms energy: -103.597935
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -26.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -313.252682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.252682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.252682 (E_RNA)
where:
Base-Base interactions energy: -206.986
where: short stacking energy: -94.624
Base-Backbone interact. energy: -0.309
local terms energy: -105.957915
where:
bonds (distance) C4'-P energy: -22.352
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -26.620
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: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -288.903797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.903797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.903797 (E_RNA)
where:
Base-Base interactions energy: -187.636
where: short stacking energy: -82.300
Base-Backbone interact. energy: -0.125
local terms energy: -101.142862
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -22.597
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -17.038
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -288.207379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.207379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.207379 (E_RNA)
where:
Base-Base interactions energy: -192.154
where: short stacking energy: -86.798
Base-Backbone interact. energy: -0.099
local terms energy: -95.954275
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -27.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -188.225978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.225978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.225978 (E_RNA)
where:
Base-Base interactions energy: -106.673
where: short stacking energy: -65.362
Base-Backbone interact. energy: -0.097
local terms energy: -81.455810
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -13.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -196.458351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.458351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.458351 (E_RNA)
where:
Base-Base interactions energy: -113.328
where: short stacking energy: -60.165
Base-Backbone interact. energy: -0.346
local terms energy: -82.784142
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -17.512
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -136.768501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.768501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.768501 (E_RNA)
where:
Base-Base interactions energy: -72.537
where: short stacking energy: -42.379
Base-Backbone interact. energy: -0.194
local terms energy: -64.037462
where:
bonds (distance) C4'-P energy: -18.669
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -8.964
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -100.236349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.236349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.236349 (E_RNA)
where:
Base-Base interactions energy: -45.019
where: short stacking energy: -43.221
Base-Backbone interact. energy: 1.599
local terms energy: -56.816700
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: 1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -110.789186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.789186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.789186 (E_RNA)
where:
Base-Base interactions energy: -47.752
where: short stacking energy: -30.780
Base-Backbone interact. energy: -0.126
local terms energy: -62.911261
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -21.859
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -93.888677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.888677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.888677 (E_RNA)
where:
Base-Base interactions energy: -29.255
where: short stacking energy: -29.255
Base-Backbone interact. energy: -0.414
local terms energy: -64.220147
where:
bonds (distance) C4'-P energy: -22.020
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -1.031
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -292.564709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.564709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.564709 (E_RNA)
where:
Base-Base interactions energy: -192.831
where: short stacking energy: -89.985
Base-Backbone interact. energy: -1.078
local terms energy: -98.655684
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -26.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -294.706308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.706308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.706308 (E_RNA)
where:
Base-Base interactions energy: -204.901
where: short stacking energy: -81.150
Base-Backbone interact. energy: -0.153
local terms energy: -89.652580
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -22.456
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -20.513
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: 232
Temperature: 1.000000
Total energy: -301.015850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.015850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.015850 (E_RNA)
where:
Base-Base interactions energy: -196.196
where: short stacking energy: -89.284
Base-Backbone interact. energy: -0.011
local terms energy: -104.808068
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -28.204
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: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -286.347293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.347293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.347293 (E_RNA)
where:
Base-Base interactions energy: -189.498
where: short stacking energy: -91.357
Base-Backbone interact. energy: -0.366
local terms energy: -96.483922
where:
bonds (distance) C4'-P energy: -24.273
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -27.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -197.937500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.937500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.937500 (E_RNA)
where:
Base-Base interactions energy: -105.402
where: short stacking energy: -56.021
Base-Backbone interact. energy: -0.187
local terms energy: -92.348372
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -23.432
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -21.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -189.454412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.454412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.454412 (E_RNA)
where:
Base-Base interactions energy: -107.701
where: short stacking energy: -64.092
Base-Backbone interact. energy: -0.365
local terms energy: -81.389032
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -10.787
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: 7, replica: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -144.468055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.468055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.468055 (E_RNA)
where:
Base-Base interactions energy: -77.025
where: short stacking energy: -52.765
Base-Backbone interact. energy: -0.514
local terms energy: -66.929821
where:
bonds (distance) C4'-P energy: -17.957
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -7.453
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: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -137.923506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.923506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.923506 (E_RNA)
where:
Base-Base interactions energy: -68.212
where: short stacking energy: -49.291
Base-Backbone interact. energy: -0.427
local terms energy: -69.284944
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -4.537
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: 232
Temperature: 1.300000
Total energy: -104.439026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.439026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.439026 (E_RNA)
where:
Base-Base interactions energy: -44.229
where: short stacking energy: -38.598
Base-Backbone interact. energy: 0.343
local terms energy: -60.552688
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -11.847
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: 10, replica: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -96.403079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.403079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.403079 (E_RNA)
where:
Base-Base interactions energy: -41.279
where: short stacking energy: -37.617
Base-Backbone interact. energy: 1.235
local terms energy: -56.359643
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -3.372
tors. eta vs tors. theta energy: -3.838
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -301.107361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.107361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.107361 (E_RNA)
where:
Base-Base interactions energy: -193.342
where: short stacking energy: -91.554
Base-Backbone interact. energy: -0.314
local terms energy: -107.450931
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -26.375
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: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -303.671479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.671479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.671479 (E_RNA)
where:
Base-Base interactions energy: -200.485
where: short stacking energy: -102.229
Base-Backbone interact. energy: -0.453
local terms energy: -102.733127
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -25.704
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: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -300.731410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.731410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.731410 (E_RNA)
where:
Base-Base interactions energy: -198.015
where: short stacking energy: -90.911
Base-Backbone interact. energy: -1.553
local terms energy: -101.163246
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -25.148
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: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -277.685326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.685326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.685326 (E_RNA)
where:
Base-Base interactions energy: -185.140
where: short stacking energy: -88.513
Base-Backbone interact. energy: -0.479
local terms energy: -92.066991
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -180.487278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.487278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.487278 (E_RNA)
where:
Base-Base interactions energy: -99.014
where: short stacking energy: -62.652
Base-Backbone interact. energy: -0.188
local terms energy: -81.285339
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -13.805
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: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -170.429146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.429146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.429146 (E_RNA)
where:
Base-Base interactions energy: -91.248
where: short stacking energy: -48.668
Base-Backbone interact. energy: -1.075
local terms energy: -78.105961
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -22.479
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -13.355
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: 7, replica: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -197.718733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.718733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.718733 (E_RNA)
where:
Base-Base interactions energy: -115.496
where: short stacking energy: -59.898
Base-Backbone interact. energy: -0.081
local terms energy: -82.141237
where:
bonds (distance) C4'-P energy: -23.763
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -15.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -140.951101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.951101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.951101 (E_RNA)
where:
Base-Base interactions energy: -86.044
where: short stacking energy: -30.898
Base-Backbone interact. energy: -0.722
local terms energy: -54.185652
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: 3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -97.662440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.662440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.662440 (E_RNA)
where:
Base-Base interactions energy: -42.619
where: short stacking energy: -29.178
Base-Backbone interact. energy: -0.310
local terms energy: -54.733627
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: 6.236
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: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -97.199676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.199676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.199676 (E_RNA)
where:
Base-Base interactions energy: -39.409
where: short stacking energy: -30.482
Base-Backbone interact. energy: -0.968
local terms energy: -56.823194
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: 5.248
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -296.091375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.091375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.091375 (E_RNA)
where:
Base-Base interactions energy: -201.096
where: short stacking energy: -98.556
Base-Backbone interact. energy: -0.122
local terms energy: -94.873621
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -29.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -298.179057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.179057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.179057 (E_RNA)
where:
Base-Base interactions energy: -193.416
where: short stacking energy: -93.018
Base-Backbone interact. energy: -0.123
local terms energy: -104.640019
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -22.715
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -27.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -305.663453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.663453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.663453 (E_RNA)
where:
Base-Base interactions energy: -200.615
where: short stacking energy: -95.025
Base-Backbone interact. energy: -1.271
local terms energy: -103.777592
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: -28.189
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: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -283.932044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.932044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.932044 (E_RNA)
where:
Base-Base interactions energy: -188.807
where: short stacking energy: -89.371
Base-Backbone interact. energy: -1.743
local terms energy: -93.381908
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -25.905
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: 5, replica: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -163.280615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.280615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.280615 (E_RNA)
where:
Base-Base interactions energy: -79.530
where: short stacking energy: -51.484
Base-Backbone interact. energy: -0.280
local terms energy: -83.470829
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -13.033
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: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -183.636602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.636602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.636602 (E_RNA)
where:
Base-Base interactions energy: -98.187
where: short stacking energy: -64.412
Base-Backbone interact. energy: 2.947
local terms energy: -88.397123
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -11.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -192.126770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.126770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.126770 (E_RNA)
where:
Base-Base interactions energy: -107.313
where: short stacking energy: -60.157
Base-Backbone interact. energy: -1.294
local terms energy: -83.518941
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -21.781
flat angles P-C4'-P energy: -10.281
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: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -114.845161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.845161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.845161 (E_RNA)
where:
Base-Base interactions energy: -37.344
where: short stacking energy: -30.444
Base-Backbone interact. energy: -0.407
local terms energy: -77.093711
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -24.879
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -11.471
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: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -104.570649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.570649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.570649 (E_RNA)
where:
Base-Base interactions energy: -45.927
where: short stacking energy: -40.819
Base-Backbone interact. energy: -1.578
local terms energy: -57.066391
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -0.959
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -90.975113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.975113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.975113 (E_RNA)
where:
Base-Base interactions energy: -29.176
where: short stacking energy: -27.516
Base-Backbone interact. energy: -2.027
local terms energy: -59.771938
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -23.480
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -2.420
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -306.404581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.404581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.404581 (E_RNA)
where:
Base-Base interactions energy: -211.031
where: short stacking energy: -91.648
Base-Backbone interact. energy: -0.478
local terms energy: -94.895985
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -23.372
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: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -299.614578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.614578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.614578 (E_RNA)
where:
Base-Base interactions energy: -193.246
where: short stacking energy: -94.953
Base-Backbone interact. energy: -1.105
local terms energy: -105.264192
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -28.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -298.776837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.776837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.776837 (E_RNA)
where:
Base-Base interactions energy: -201.348
where: short stacking energy: -91.900
Base-Backbone interact. energy: -0.536
local terms energy: -96.893390
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -27.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -289.978225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.978225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.978225 (E_RNA)
where:
Base-Base interactions energy: -197.866
where: short stacking energy: -86.115
Base-Backbone interact. energy: -0.727
local terms energy: -91.385576
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -22.277
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -24.487
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: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -123.258046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.258046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.258046 (E_RNA)
where:
Base-Base interactions energy: -47.564
where: short stacking energy: -47.564
Base-Backbone interact. energy: -0.102
local terms energy: -75.591453
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -14.606
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -192.912516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.912516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.912516 (E_RNA)
where:
Base-Base interactions energy: -109.242
where: short stacking energy: -68.354
Base-Backbone interact. energy: -0.025
local terms energy: -83.645577
where:
bonds (distance) C4'-P energy: -22.219
bonds (distance) P-C4' energy: -22.060
flat angles C4'-P-C4' energy: -19.119
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -11.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -177.260272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.260272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.260272 (E_RNA)
where:
Base-Base interactions energy: -100.286
where: short stacking energy: -46.168
Base-Backbone interact. energy: -0.115
local terms energy: -76.859838
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -20.152
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -11.354
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: 8, replica: 7
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -109.509221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.509221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.509221 (E_RNA)
where:
Base-Base interactions energy: -40.185
where: short stacking energy: -25.638
Base-Backbone interact. energy: -0.626
local terms energy: -68.697545
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -2.818
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: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -117.225495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.225495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.225495 (E_RNA)
where:
Base-Base interactions energy: -55.139
where: short stacking energy: -32.531
Base-Backbone interact. energy: -0.262
local terms energy: -61.825166
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -3.045
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: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -106.166515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.166515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.166515 (E_RNA)
where:
Base-Base interactions energy: -54.592
where: short stacking energy: -31.797
Base-Backbone interact. energy: -1.811
local terms energy: -49.763572
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: 0.969
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -300.378655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.378655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.378655 (E_RNA)
where:
Base-Base interactions energy: -191.805
where: short stacking energy: -96.187
Base-Backbone interact. energy: -0.145
local terms energy: -108.428571
where:
bonds (distance) C4'-P energy: -22.525
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -26.963
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: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -281.097377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.097377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.097377 (E_RNA)
where:
Base-Base interactions energy: -184.453
where: short stacking energy: -84.706
Base-Backbone interact. energy: -0.927
local terms energy: -95.718026
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -26.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -300.114399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.114399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.114399 (E_RNA)
where:
Base-Base interactions energy: -190.406
where: short stacking energy: -85.787
Base-Backbone interact. energy: 0.954
local terms energy: -110.662630
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -25.541
flat angles C4'-P-C4' energy: -22.382
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -23.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -286.052499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.052499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.052499 (E_RNA)
where:
Base-Base interactions energy: -187.539
where: short stacking energy: -80.548
Base-Backbone interact. energy: -0.665
local terms energy: -97.848088
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -24.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -201.818976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.818976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.818976 (E_RNA)
where:
Base-Base interactions energy: -117.272
where: short stacking energy: -74.424
Base-Backbone interact. energy: -0.139
local terms energy: -84.408450
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -10.347
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: 6, replica: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -133.386206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.386206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.386206 (E_RNA)
where:
Base-Base interactions energy: -60.158
where: short stacking energy: -57.323
Base-Backbone interact. energy: -0.095
local terms energy: -73.134085
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -9.552
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: 7, replica: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -190.677913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.677913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.677913 (E_RNA)
where:
Base-Base interactions energy: -107.706
where: short stacking energy: -52.051
Base-Backbone interact. energy: -0.346
local terms energy: -82.626100
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -109.149084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.149084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.149084 (E_RNA)
where:
Base-Base interactions energy: -44.885
where: short stacking energy: -43.950
Base-Backbone interact. energy: -0.277
local terms energy: -63.987006
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -4.088
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: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -111.009520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.009520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.009520 (E_RNA)
where:
Base-Base interactions energy: -44.548
where: short stacking energy: -31.978
Base-Backbone interact. energy: -0.245
local terms energy: -66.216951
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -18.786
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -6.413
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: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -103.597382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.597382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.597382 (E_RNA)
where:
Base-Base interactions energy: -38.333
where: short stacking energy: -33.970
Base-Backbone interact. energy: -1.012
local terms energy: -64.252253
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -1.933
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -299.418109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.418109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.418109 (E_RNA)
where:
Base-Base interactions energy: -197.930
where: short stacking energy: -95.967
Base-Backbone interact. energy: -0.182
local terms energy: -101.306366
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -25.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -293.582141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.582141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.582141 (E_RNA)
where:
Base-Base interactions energy: -197.121
where: short stacking energy: -82.646
Base-Backbone interact. energy: -0.839
local terms energy: -95.622412
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: -21.647
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: 3, replica: 6
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -276.252646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.252646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.252646 (E_RNA)
where:
Base-Base interactions energy: -174.586
where: short stacking energy: -86.565
Base-Backbone interact. energy: -0.673
local terms energy: -100.993669
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -23.333
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -24.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -282.231017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.231017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.231017 (E_RNA)
where:
Base-Base interactions energy: -192.786
where: short stacking energy: -86.470
Base-Backbone interact. energy: -0.138
local terms energy: -89.306702
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -23.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -211.168960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.168960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.168960 (E_RNA)
where:
Base-Base interactions energy: -121.932
where: short stacking energy: -76.742
Base-Backbone interact. energy: -0.054
local terms energy: -89.183633
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -23.531
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -19.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -173.921027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.921027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.921027 (E_RNA)
where:
Base-Base interactions energy: -96.414
where: short stacking energy: -53.644
Base-Backbone interact. energy: -1.442
local terms energy: -76.065233
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -12.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -124.632880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.632880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.632880 (E_RNA)
where:
Base-Base interactions energy: -48.340
where: short stacking energy: -48.340
Base-Backbone interact. energy: -0.027
local terms energy: -76.265915
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -23.752
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -12.004
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: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -117.596664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.596664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.596664 (E_RNA)
where:
Base-Base interactions energy: -43.742
where: short stacking energy: -38.379
Base-Backbone interact. energy: 0.536
local terms energy: -74.391133
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -8.233
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: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -102.319576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.319576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.319576 (E_RNA)
where:
Base-Base interactions energy: -28.600
where: short stacking energy: -28.494
Base-Backbone interact. energy: -0.127
local terms energy: -73.592773
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -20.174
tors. eta vs tors. theta energy: -2.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -107.946397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.946397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.946397 (E_RNA)
where:
Base-Base interactions energy: -45.902
where: short stacking energy: -42.443
Base-Backbone interact. energy: -0.166
local terms energy: -61.878710
where:
bonds (distance) C4'-P energy: -7.605
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -9.151
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -307.003378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.003378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.003378 (E_RNA)
where:
Base-Base interactions energy: -202.618
where: short stacking energy: -86.342
Base-Backbone interact. energy: -0.637
local terms energy: -103.747937
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -19.925
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -27.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -306.390052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.390052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.390052 (E_RNA)
where:
Base-Base interactions energy: -200.561
where: short stacking energy: -87.223
Base-Backbone interact. energy: -0.611
local terms energy: -105.218206
where:
bonds (distance) C4'-P energy: -23.808
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -26.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -287.656568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.656568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.656568 (E_RNA)
where:
Base-Base interactions energy: -189.125
where: short stacking energy: -85.811
Base-Backbone interact. energy: -0.432
local terms energy: -98.099552
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -21.935
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: 6
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -281.528134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.528134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.528134 (E_RNA)
where:
Base-Base interactions energy: -183.086
where: short stacking energy: -75.920
Base-Backbone interact. energy: -0.102
local terms energy: -98.340721
where:
bonds (distance) C4'-P energy: -19.210
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -16.931
tors. eta vs tors. theta energy: -23.072
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: 238
Temperature: 1.100000
Total energy: -186.351211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.351211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.351211 (E_RNA)
where:
Base-Base interactions energy: -118.406
where: short stacking energy: -63.713
Base-Backbone interact. energy: -0.902
local terms energy: -67.042887
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -9.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -176.178326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.178326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.178326 (E_RNA)
where:
Base-Base interactions energy: -100.461
where: short stacking energy: -51.242
Base-Backbone interact. energy: -0.593
local terms energy: -75.123520
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -16.519
tors. eta vs tors. theta energy: -8.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -114.923620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.923620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.923620 (E_RNA)
where:
Base-Base interactions energy: -50.358
where: short stacking energy: -43.820
Base-Backbone interact. energy: 0.231
local terms energy: -64.797085
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -10.126
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: 8, replica: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -106.079184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.079184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.079184 (E_RNA)
where:
Base-Base interactions energy: -41.225
where: short stacking energy: -32.029
Base-Backbone interact. energy: 1.605
local terms energy: -66.458418
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -1.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -112.516126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.516126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.516126 (E_RNA)
where:
Base-Base interactions energy: -42.695
where: short stacking energy: -34.551
Base-Backbone interact. energy: -0.137
local terms energy: -69.684631
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -6.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -108.952521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.952521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.952521 (E_RNA)
where:
Base-Base interactions energy: -44.180
where: short stacking energy: -44.180
Base-Backbone interact. energy: -0.022
local terms energy: -64.750332
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -310.095398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.095398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.095398 (E_RNA)
where:
Base-Base interactions energy: -202.494
where: short stacking energy: -93.562
Base-Backbone interact. energy: -0.063
local terms energy: -107.539079
where:
bonds (distance) C4'-P energy: -20.153
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -19.458
tors. eta vs tors. theta energy: -27.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -312.465170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.465170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.465170 (E_RNA)
where:
Base-Base interactions energy: -207.053
where: short stacking energy: -98.556
Base-Backbone interact. energy: -0.535
local terms energy: -104.876992
where:
bonds (distance) C4'-P energy: -24.645
bonds (distance) P-C4' energy: -24.022
flat angles C4'-P-C4' energy: -21.415
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -23.298
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: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -294.715098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.715098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.715098 (E_RNA)
where:
Base-Base interactions energy: -194.472
where: short stacking energy: -93.299
Base-Backbone interact. energy: -0.068
local terms energy: -100.175075
where:
bonds (distance) C4'-P energy: -20.961
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -25.512
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: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -277.969815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.969815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.969815 (E_RNA)
where:
Base-Base interactions energy: -182.365
where: short stacking energy: -86.622
Base-Backbone interact. energy: -1.578
local terms energy: -94.026108
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -20.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -201.832706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.832706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.832706 (E_RNA)
where:
Base-Base interactions energy: -128.322
where: short stacking energy: -57.112
Base-Backbone interact. energy: -0.961
local terms energy: -72.549204
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -11.291
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: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -147.368344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.368344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.368344 (E_RNA)
where:
Base-Base interactions energy: -68.625
where: short stacking energy: -43.876
Base-Backbone interact. energy: -0.089
local terms energy: -78.653945
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -127.084469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.084469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.084469 (E_RNA)
where:
Base-Base interactions energy: -67.120
where: short stacking energy: -46.671
Base-Backbone interact. energy: -0.139
local terms energy: -59.825933
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -132.287310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.287310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.287310 (E_RNA)
where:
Base-Base interactions energy: -49.727
where: short stacking energy: -44.943
Base-Backbone interact. energy: -0.262
local terms energy: -82.298554
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -24.396
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -12.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -104.976954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.976954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.976954 (E_RNA)
where:
Base-Base interactions energy: -37.943
where: short stacking energy: -32.169
Base-Backbone interact. energy: 0.649
local terms energy: -67.682735
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -6.609
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: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -108.780688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.780688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.780688 (E_RNA)
where:
Base-Base interactions energy: -37.305
where: short stacking energy: -33.373
Base-Backbone interact. energy: -0.454
local terms energy: -71.021784
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -5.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -299.327420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.327420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.327420 (E_RNA)
where:
Base-Base interactions energy: -196.577
where: short stacking energy: -77.845
Base-Backbone interact. energy: -0.766
local terms energy: -101.984575
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -25.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -303.058553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.058553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.058553 (E_RNA)
where:
Base-Base interactions energy: -195.034
where: short stacking energy: -91.796
Base-Backbone interact. energy: -0.100
local terms energy: -107.925379
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -18.274
tors. eta vs tors. theta energy: -29.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -288.322245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.322245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.322245 (E_RNA)
where:
Base-Base interactions energy: -199.798
where: short stacking energy: -88.869
Base-Backbone interact. energy: -0.315
local terms energy: -88.208921
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -268.838678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.838678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.838678 (E_RNA)
where:
Base-Base interactions energy: -167.000
where: short stacking energy: -83.690
Base-Backbone interact. energy: -0.119
local terms energy: -101.719808
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -14.741
tors. eta vs tors. theta energy: -22.424
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: 240
Temperature: 1.100000
Total energy: -193.958160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.958160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.958160 (E_RNA)
where:
Base-Base interactions energy: -127.214
where: short stacking energy: -76.205
Base-Backbone interact. energy: -1.286
local terms energy: -65.458225
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -0.731
tors. eta vs tors. theta energy: -15.072
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: 240
Temperature: 1.150000
Total energy: -166.477011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.477011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.477011 (E_RNA)
where:
Base-Base interactions energy: -86.904
where: short stacking energy: -53.711
Base-Backbone interact. energy: -0.518
local terms energy: -79.055506
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -123.088286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.088286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.088286 (E_RNA)
where:
Base-Base interactions energy: -55.937
where: short stacking energy: -51.330
Base-Backbone interact. energy: 2.071
local terms energy: -69.221514
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -7.595
tors. eta vs tors. theta energy: -8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -109.474305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.474305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.474305 (E_RNA)
where:
Base-Base interactions energy: -40.091
where: short stacking energy: -35.626
Base-Backbone interact. energy: -0.871
local terms energy: -68.512899
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -13.822
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: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -98.560803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.560803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.560803 (E_RNA)
where:
Base-Base interactions energy: -40.628
where: short stacking energy: -36.475
Base-Backbone interact. energy: -0.833
local terms energy: -57.099623
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -3.661
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: 3
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -112.375527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.375527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.375527 (E_RNA)
where:
Base-Base interactions energy: -45.883
where: short stacking energy: -45.679
Base-Backbone interact. energy: 0.896
local terms energy: -67.389210
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -5.514
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -306.104041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.104041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.104041 (E_RNA)
where:
Base-Base interactions energy: -208.078
where: short stacking energy: -91.852
Base-Backbone interact. energy: -0.294
local terms energy: -97.731996
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -25.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -299.134569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.134569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.134569 (E_RNA)
where:
Base-Base interactions energy: -192.244
where: short stacking energy: -93.901
Base-Backbone interact. energy: -0.126
local terms energy: -106.763887
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -23.392
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -27.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -289.243759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.243759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.243759 (E_RNA)
where:
Base-Base interactions energy: -194.055
where: short stacking energy: -89.938
Base-Backbone interact. energy: -0.328
local terms energy: -94.861175
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -21.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -264.815113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.815113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.815113 (E_RNA)
where:
Base-Base interactions energy: -176.047
where: short stacking energy: -85.211
Base-Backbone interact. energy: -0.055
local terms energy: -88.712464
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -22.683
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: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -190.649681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.649681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.649681 (E_RNA)
where:
Base-Base interactions energy: -102.979
where: short stacking energy: -67.772
Base-Backbone interact. energy: 0.173
local terms energy: -87.843853
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -17.160
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: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -158.304673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.304673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.304673 (E_RNA)
where:
Base-Base interactions energy: -76.547
where: short stacking energy: -45.950
Base-Backbone interact. energy: 0.549
local terms energy: -82.307138
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -9.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -138.810556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.810556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.810556 (E_RNA)
where:
Base-Base interactions energy: -59.055
where: short stacking energy: -41.300
Base-Backbone interact. energy: -0.879
local terms energy: -78.876702
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -8.075
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: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -110.422511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.422511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.422511 (E_RNA)
where:
Base-Base interactions energy: -35.698
where: short stacking energy: -35.342
Base-Backbone interact. energy: -0.046
local terms energy: -74.677751
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -109.612739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.612739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.612739 (E_RNA)
where:
Base-Base interactions energy: -56.933
where: short stacking energy: -32.960
Base-Backbone interact. energy: 1.745
local terms energy: -54.424435
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -0.617
tors. eta vs tors. theta energy: -0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -109.762360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.762360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.762360 (E_RNA)
where:
Base-Base interactions energy: -36.601
where: short stacking energy: -36.601
Base-Backbone interact. energy: 0.372
local terms energy: -73.533140
where:
bonds (distance) C4'-P energy: -22.273
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -3.190
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -302.102672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.102672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.102672 (E_RNA)
where:
Base-Base interactions energy: -200.466
where: short stacking energy: -102.059
Base-Backbone interact. energy: -0.387
local terms energy: -101.249783
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -26.886
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: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -299.836065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.836065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.836065 (E_RNA)
where:
Base-Base interactions energy: -200.542
where: short stacking energy: -84.289
Base-Backbone interact. energy: -0.853
local terms energy: -98.441484
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -300.379337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.379337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.379337 (E_RNA)
where:
Base-Base interactions energy: -202.556
where: short stacking energy: -96.972
Base-Backbone interact. energy: -1.776
local terms energy: -96.046710
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -25.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -257.176103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.176103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.176103 (E_RNA)
where:
Base-Base interactions energy: -158.830
where: short stacking energy: -81.108
Base-Backbone interact. energy: 0.665
local terms energy: -99.010905
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -21.487
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: 242
Temperature: 1.100000
Total energy: -177.608432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.608432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.608432 (E_RNA)
where:
Base-Base interactions energy: -96.668
where: short stacking energy: -53.346
Base-Backbone interact. energy: -0.429
local terms energy: -80.510962
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -11.518
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: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -185.589615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.589615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.589615 (E_RNA)
where:
Base-Base interactions energy: -106.137
where: short stacking energy: -63.855
Base-Backbone interact. energy: -0.762
local terms energy: -78.691260
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -11.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -139.509475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.509475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.509475 (E_RNA)
where:
Base-Base interactions energy: -64.565
where: short stacking energy: -41.513
Base-Backbone interact. energy: 0.264
local terms energy: -75.207744
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -10.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -114.470624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.470624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.470624 (E_RNA)
where:
Base-Base interactions energy: -37.937
where: short stacking energy: -37.452
Base-Backbone interact. energy: 1.485
local terms energy: -78.018518
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -109.560177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.560177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.560177 (E_RNA)
where:
Base-Base interactions energy: -49.077
where: short stacking energy: -47.778
Base-Backbone interact. energy: -0.249
local terms energy: -60.233479
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -106.093124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.093124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.093124 (E_RNA)
where:
Base-Base interactions energy: -47.050
where: short stacking energy: -40.253
Base-Backbone interact. energy: -0.620
local terms energy: -58.423171
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -9.481
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -304.712358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.712358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.712358 (E_RNA)
where:
Base-Base interactions energy: -202.818
where: short stacking energy: -101.469
Base-Backbone interact. energy: -1.823
local terms energy: -100.071354
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -25.320
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: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -311.046560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.046560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.046560 (E_RNA)
where:
Base-Base interactions energy: -208.700
where: short stacking energy: -97.787
Base-Backbone interact. energy: -0.930
local terms energy: -101.416416
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -24.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -285.190713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.190713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.190713 (E_RNA)
where:
Base-Base interactions energy: -190.247
where: short stacking energy: -89.307
Base-Backbone interact. energy: 0.570
local terms energy: -95.513675
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -286.413276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.413276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.413276 (E_RNA)
where:
Base-Base interactions energy: -186.536
where: short stacking energy: -87.482
Base-Backbone interact. energy: -0.739
local terms energy: -99.138647
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -22.540
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: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -202.627212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.627212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.627212 (E_RNA)
where:
Base-Base interactions energy: -119.582
where: short stacking energy: -65.462
Base-Backbone interact. energy: -0.048
local terms energy: -82.996844
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -14.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -182.193258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.193258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.193258 (E_RNA)
where:
Base-Base interactions energy: -103.336
where: short stacking energy: -57.612
Base-Backbone interact. energy: -0.322
local terms energy: -78.534437
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -22.145
flat angles P-C4'-P energy: -3.178
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -163.494664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.494664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.494664 (E_RNA)
where:
Base-Base interactions energy: -92.793
where: short stacking energy: -59.403
Base-Backbone interact. energy: -0.080
local terms energy: -70.621770
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -128.041600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.041600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.041600 (E_RNA)
where:
Base-Base interactions energy: -68.683
where: short stacking energy: -40.805
Base-Backbone interact. energy: -0.260
local terms energy: -59.098842
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -8.830
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -101.666305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.666305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.666305 (E_RNA)
where:
Base-Base interactions energy: -47.234
where: short stacking energy: -22.101
Base-Backbone interact. energy: -0.537
local terms energy: -53.895288
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: 0.955
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: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -90.121391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.121391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.121391 (E_RNA)
where:
Base-Base interactions energy: -23.856
where: short stacking energy: -20.308
Base-Backbone interact. energy: -0.164
local terms energy: -66.101554
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -0.452
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -305.281059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.281059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.281059 (E_RNA)
where:
Base-Base interactions energy: -204.368
where: short stacking energy: -95.863
Base-Backbone interact. energy: -1.609
local terms energy: -99.304182
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -23.672
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: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -295.267553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.267553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.267553 (E_RNA)
where:
Base-Base interactions energy: -195.199
where: short stacking energy: -88.606
Base-Backbone interact. energy: -0.445
local terms energy: -99.622973
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -23.956
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: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -294.431177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.431177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.431177 (E_RNA)
where:
Base-Base interactions energy: -189.831
where: short stacking energy: -91.304
Base-Backbone interact. energy: -2.411
local terms energy: -102.189099
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -25.843
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: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -278.305934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.305934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.305934 (E_RNA)
where:
Base-Base interactions energy: -177.934
where: short stacking energy: -92.078
Base-Backbone interact. energy: 1.184
local terms energy: -101.555403
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -26.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -183.425791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.425791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.425791 (E_RNA)
where:
Base-Base interactions energy: -100.435
where: short stacking energy: -53.394
Base-Backbone interact. energy: -0.323
local terms energy: -82.667752
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -13.938
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: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -180.780336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.780336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.780336 (E_RNA)
where:
Base-Base interactions energy: -115.061
where: short stacking energy: -51.365
Base-Backbone interact. energy: -0.215
local terms energy: -65.503781
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -4.096
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: 244
Temperature: 1.200000
Total energy: -154.411797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.411797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.411797 (E_RNA)
where:
Base-Base interactions energy: -81.059
where: short stacking energy: -47.639
Base-Backbone interact. energy: -0.077
local terms energy: -73.275027
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -9.164
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: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -144.874207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.874207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.874207 (E_RNA)
where:
Base-Base interactions energy: -73.926
where: short stacking energy: -41.144
Base-Backbone interact. energy: 2.072
local terms energy: -73.020188
where:
bonds (distance) C4'-P energy: -22.596
bonds (distance) P-C4' energy: -15.186
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -7.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -97.086222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.086222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.086222 (E_RNA)
where:
Base-Base interactions energy: -45.758
where: short stacking energy: -40.982
Base-Backbone interact. energy: -0.087
local terms energy: -51.241018
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -1.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -103.497690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.497690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.497690 (E_RNA)
where:
Base-Base interactions energy: -45.278
where: short stacking energy: -30.028
Base-Backbone interact. energy: -1.347
local terms energy: -56.873402
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: 0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -307.635953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.635953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.635953 (E_RNA)
where:
Base-Base interactions energy: -205.740
where: short stacking energy: -87.846
Base-Backbone interact. energy: -0.808
local terms energy: -101.088556
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -22.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -307.628576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.628576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.628576 (E_RNA)
where:
Base-Base interactions energy: -196.375
where: short stacking energy: -96.224
Base-Backbone interact. energy: -0.855
local terms energy: -110.398270
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -28.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -284.835098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.835098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.835098 (E_RNA)
where:
Base-Base interactions energy: -187.863
where: short stacking energy: -95.311
Base-Backbone interact. energy: 0.380
local terms energy: -97.352212
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -21.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -283.114431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.114431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.114431 (E_RNA)
where:
Base-Base interactions energy: -195.876
where: short stacking energy: -84.464
Base-Backbone interact. energy: -0.028
local terms energy: -87.210106
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -24.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -213.751483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.751483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.751483 (E_RNA)
where:
Base-Base interactions energy: -122.639
where: short stacking energy: -66.546
Base-Backbone interact. energy: -0.556
local terms energy: -90.556140
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -22.478
flat angles C4'-P-C4' energy: -22.993
flat angles P-C4'-P energy: -12.460
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: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -194.145450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.145450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.145450 (E_RNA)
where:
Base-Base interactions energy: -123.925
where: short stacking energy: -55.626
Base-Backbone interact. energy: 0.706
local terms energy: -70.926478
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -162.483886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.483886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.483886 (E_RNA)
where:
Base-Base interactions energy: -78.295
where: short stacking energy: -45.053
Base-Backbone interact. energy: 0.566
local terms energy: -84.755005
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -8.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -149.857919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.857919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.857919 (E_RNA)
where:
Base-Base interactions energy: -78.048
where: short stacking energy: -38.915
Base-Backbone interact. energy: -0.647
local terms energy: -71.162899
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -5.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -123.533986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.533986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.533986 (E_RNA)
where:
Base-Base interactions energy: -44.133
where: short stacking energy: -42.263
Base-Backbone interact. energy: -1.728
local terms energy: -77.672931
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -8.286
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: 3
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -110.791602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.791602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.791602 (E_RNA)
where:
Base-Base interactions energy: -44.155
where: short stacking energy: -44.555
Base-Backbone interact. energy: 1.276
local terms energy: -67.912311
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -12.632
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -305.911996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.911996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.911996 (E_RNA)
where:
Base-Base interactions energy: -202.463
where: short stacking energy: -97.217
Base-Backbone interact. energy: -0.456
local terms energy: -102.992968
where:
bonds (distance) C4'-P energy: -22.087
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -21.799
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -24.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -296.163487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.163487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.163487 (E_RNA)
where:
Base-Base interactions energy: -199.173
where: short stacking energy: -82.539
Base-Backbone interact. energy: -1.605
local terms energy: -95.384731
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -22.203
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: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -290.340369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.340369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.340369 (E_RNA)
where:
Base-Base interactions energy: -190.147
where: short stacking energy: -85.568
Base-Backbone interact. energy: 0.398
local terms energy: -100.591808
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -18.832
tors. eta vs tors. theta energy: -22.582
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: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -283.121020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.121020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.121020 (E_RNA)
where:
Base-Base interactions energy: -188.336
where: short stacking energy: -84.537
Base-Backbone interact. energy: -0.116
local terms energy: -94.668941
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -200.891403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.891403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.891403 (E_RNA)
where:
Base-Base interactions energy: -123.238
where: short stacking energy: -64.238
Base-Backbone interact. energy: -0.028
local terms energy: -77.624883
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -13.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -197.644711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.644711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.644711 (E_RNA)
where:
Base-Base interactions energy: -116.947
where: short stacking energy: -61.007
Base-Backbone interact. energy: -0.156
local terms energy: -80.541944
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -22.083
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -124.645017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.645017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.645017 (E_RNA)
where:
Base-Base interactions energy: -50.081
where: short stacking energy: -46.658
Base-Backbone interact. energy: -0.228
local terms energy: -74.336421
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -9.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -145.189644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.189644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.189644 (E_RNA)
where:
Base-Base interactions energy: -74.895
where: short stacking energy: -48.015
Base-Backbone interact. energy: 0.138
local terms energy: -70.432393
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -20.688
flat angles P-C4'-P energy: -2.234
tors. eta vs tors. theta energy: -8.668
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: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -150.390286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.390286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.390286 (E_RNA)
where:
Base-Base interactions energy: -85.794
where: short stacking energy: -50.494
Base-Backbone interact. energy: -0.155
local terms energy: -64.441338
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -11.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -123.653563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.653563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.653563 (E_RNA)
where:
Base-Base interactions energy: -65.679
where: short stacking energy: -44.722
Base-Backbone interact. energy: -1.360
local terms energy: -56.613750
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -9.748
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -2.120
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -285.310839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.310839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.310839 (E_RNA)
where:
Base-Base interactions energy: -184.948
where: short stacking energy: -86.261
Base-Backbone interact. energy: -0.253
local terms energy: -100.109781
where:
bonds (distance) C4'-P energy: -22.508
bonds (distance) P-C4' energy: -20.987
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -21.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -307.814523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.814523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.814523 (E_RNA)
where:
Base-Base interactions energy: -202.328
where: short stacking energy: -92.970
Base-Backbone interact. energy: -0.161
local terms energy: -105.325278
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -23.457
flat angles C4'-P-C4' energy: -20.889
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -24.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -273.369687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.369687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.369687 (E_RNA)
where:
Base-Base interactions energy: -178.282
where: short stacking energy: -84.939
Base-Backbone interact. energy: 0.649
local terms energy: -95.736363
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -19.515
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -21.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -264.009453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.009453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.009453 (E_RNA)
where:
Base-Base interactions energy: -171.767
where: short stacking energy: -77.071
Base-Backbone interact. energy: -0.033
local terms energy: -92.209231
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -21.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -195.678688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.678688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.678688 (E_RNA)
where:
Base-Base interactions energy: -110.842
where: short stacking energy: -63.272
Base-Backbone interact. energy: -0.318
local terms energy: -84.518603
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -13.967
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: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -177.682105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.682105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.682105 (E_RNA)
where:
Base-Base interactions energy: -103.494
where: short stacking energy: -46.666
Base-Backbone interact. energy: 0.900
local terms energy: -75.088793
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -138.907442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.907442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.907442 (E_RNA)
where:
Base-Base interactions energy: -66.699
where: short stacking energy: -49.952
Base-Backbone interact. energy: -0.345
local terms energy: -71.863198
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -6.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -170.127469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.127469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.127469 (E_RNA)
where:
Base-Base interactions energy: -96.463
where: short stacking energy: -45.022
Base-Backbone interact. energy: -0.656
local terms energy: -73.008489
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -8.758
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: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -127.156877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.156877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.156877 (E_RNA)
where:
Base-Base interactions energy: -73.108
where: short stacking energy: -47.324
Base-Backbone interact. energy: -0.113
local terms energy: -53.935234
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -88.270292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.270292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.270292 (E_RNA)
where:
Base-Base interactions energy: -29.046
where: short stacking energy: -20.293
Base-Backbone interact. energy: -0.407
local terms energy: -58.817282
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: 5.518
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -303.928019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.928019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.928019 (E_RNA)
where:
Base-Base interactions energy: -205.176
where: short stacking energy: -94.096
Base-Backbone interact. energy: -0.715
local terms energy: -98.036407
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -23.358
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -25.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -296.284170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.284170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.284170 (E_RNA)
where:
Base-Base interactions energy: -193.009
where: short stacking energy: -82.073
Base-Backbone interact. energy: -1.037
local terms energy: -102.238345
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -23.225
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: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -274.329713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.329713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.329713 (E_RNA)
where:
Base-Base interactions energy: -175.853
where: short stacking energy: -92.744
Base-Backbone interact. energy: -0.441
local terms energy: -98.036110
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -26.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -268.679355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.679355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.679355 (E_RNA)
where:
Base-Base interactions energy: -181.948
where: short stacking energy: -87.715
Base-Backbone interact. energy: -0.335
local terms energy: -86.396321
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -15.157
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: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -187.732702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.732702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.732702 (E_RNA)
where:
Base-Base interactions energy: -108.222
where: short stacking energy: -58.757
Base-Backbone interact. energy: -0.596
local terms energy: -78.914496
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -15.696
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: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -201.140849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.140849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.140849 (E_RNA)
where:
Base-Base interactions energy: -117.023
where: short stacking energy: -69.479
Base-Backbone interact. energy: -0.696
local terms energy: -83.422438
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -204.997303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.997303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.997303 (E_RNA)
where:
Base-Base interactions energy: -115.292
where: short stacking energy: -66.895
Base-Backbone interact. energy: -0.350
local terms energy: -89.356014
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -19.214
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -18.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -107.246450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.246450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.246450 (E_RNA)
where:
Base-Base interactions energy: -44.067
where: short stacking energy: -44.067
Base-Backbone interact. energy: -0.083
local terms energy: -63.095691
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -9.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -113.790053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.790053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.790053 (E_RNA)
where:
Base-Base interactions energy: -42.535
where: short stacking energy: -32.222
Base-Backbone interact. energy: 0.085
local terms energy: -71.340385
where:
bonds (distance) C4'-P energy: -23.279
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -0.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -89.572294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.572294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.572294 (E_RNA)
where:
Base-Base interactions energy: -52.330
where: short stacking energy: -23.785
Base-Backbone interact. energy: -1.306
local terms energy: -35.936252
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -9.601
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -1.391
tors. eta vs tors. theta energy: 5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -302.598496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.598496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.598496 (E_RNA)
where:
Base-Base interactions energy: -198.565
where: short stacking energy: -98.022
Base-Backbone interact. energy: -0.812
local terms energy: -103.221180
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -296.694767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.694767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.694767 (E_RNA)
where:
Base-Base interactions energy: -202.809
where: short stacking energy: -96.461
Base-Backbone interact. energy: -0.979
local terms energy: -92.906951
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -27.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -276.389260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.389260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.389260 (E_RNA)
where:
Base-Base interactions energy: -178.001
where: short stacking energy: -83.189
Base-Backbone interact. energy: -0.830
local terms energy: -97.558419
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -19.353
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: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -262.287003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.287003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.287003 (E_RNA)
where:
Base-Base interactions energy: -161.537
where: short stacking energy: -87.973
Base-Backbone interact. energy: -1.227
local terms energy: -99.523421
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -26.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -177.868519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.868519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.868519 (E_RNA)
where:
Base-Base interactions energy: -103.956
where: short stacking energy: -59.485
Base-Backbone interact. energy: -0.049
local terms energy: -73.863555
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -13.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -196.339123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.339123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.339123 (E_RNA)
where:
Base-Base interactions energy: -118.174
where: short stacking energy: -64.426
Base-Backbone interact. energy: -0.121
local terms energy: -78.044090
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -10.296
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: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -181.311105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.311105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.311105 (E_RNA)
where:
Base-Base interactions energy: -96.587
where: short stacking energy: -59.132
Base-Backbone interact. energy: -0.132
local terms energy: -84.591894
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -114.273562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.273562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.273562 (E_RNA)
where:
Base-Base interactions energy: -49.771
where: short stacking energy: -31.356
Base-Backbone interact. energy: -0.442
local terms energy: -64.060641
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -23.057
flat angles P-C4'-P energy: -4.399
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: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -112.563057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.563057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.563057 (E_RNA)
where:
Base-Base interactions energy: -38.735
where: short stacking energy: -38.227
Base-Backbone interact. energy: -0.350
local terms energy: -73.477126
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -21.898
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -103.143802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.143802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.143802 (E_RNA)
where:
Base-Base interactions energy: -39.081
where: short stacking energy: -39.081
Base-Backbone interact. energy: -0.217
local terms energy: -63.844991
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -4.170
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -308.600252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.600252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.600252 (E_RNA)
where:
Base-Base interactions energy: -213.156
where: short stacking energy: -80.816
Base-Backbone interact. energy: -0.736
local terms energy: -94.708714
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -15.112
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: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -299.158244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.158244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.158244 (E_RNA)
where:
Base-Base interactions energy: -196.920
where: short stacking energy: -96.937
Base-Backbone interact. energy: -0.057
local terms energy: -102.180909
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -25.167
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: 250
Temperature: 1.000000
Total energy: -280.056673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.056673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.056673 (E_RNA)
where:
Base-Base interactions energy: -184.003
where: short stacking energy: -88.543
Base-Backbone interact. energy: -0.117
local terms energy: -95.936471
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -274.791983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.791983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.791983 (E_RNA)
where:
Base-Base interactions energy: -190.358
where: short stacking energy: -84.188
Base-Backbone interact. energy: -0.955
local terms energy: -83.479119
where:
bonds (distance) C4'-P energy: -17.238
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -18.912
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: 3
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -201.769255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.769255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.769255 (E_RNA)
where:
Base-Base interactions energy: -125.857
where: short stacking energy: -59.778
Base-Backbone interact. energy: -0.826
local terms energy: -75.086025
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -187.940879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.940879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.940879 (E_RNA)
where:
Base-Base interactions energy: -105.778
where: short stacking energy: -69.268
Base-Backbone interact. energy: -0.080
local terms energy: -82.082403
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -170.889307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.889307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.889307 (E_RNA)
where:
Base-Base interactions energy: -92.519
where: short stacking energy: -43.122
Base-Backbone interact. energy: 0.277
local terms energy: -78.647174
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -12.746
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: 8, replica: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -113.838593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.838593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.838593 (E_RNA)
where:
Base-Base interactions energy: -46.017
where: short stacking energy: -29.540
Base-Backbone interact. energy: -0.662
local terms energy: -67.159071
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -1.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -111.361541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.361541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.361541 (E_RNA)
where:
Base-Base interactions energy: -41.360
where: short stacking energy: -41.360
Base-Backbone interact. energy: -0.044
local terms energy: -69.957129
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -9.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -100.750827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.750827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.750827 (E_RNA)
where:
Base-Base interactions energy: -41.804
where: short stacking energy: -35.053
Base-Backbone interact. energy: -0.359
local terms energy: -58.587118
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: 0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -300.311360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.311360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.311360 (E_RNA)
where:
Base-Base interactions energy: -199.723
where: short stacking energy: -91.792
Base-Backbone interact. energy: -0.857
local terms energy: -99.730630
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -27.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -300.203522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.203522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.203522 (E_RNA)
where:
Base-Base interactions energy: -202.949
where: short stacking energy: -89.889
Base-Backbone interact. energy: -0.106
local terms energy: -97.148204
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -25.163
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: 6
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -273.081839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.081839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.081839 (E_RNA)
where:
Base-Base interactions energy: -175.026
where: short stacking energy: -90.489
Base-Backbone interact. energy: -0.695
local terms energy: -97.361227
where:
bonds (distance) C4'-P energy: -20.254
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -22.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -267.036882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.036882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.036882 (E_RNA)
where:
Base-Base interactions energy: -170.653
where: short stacking energy: -73.816
Base-Backbone interact. energy: 0.082
local terms energy: -96.466066
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -23.012
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -19.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -222.746378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.746378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.746378 (E_RNA)
where:
Base-Base interactions energy: -140.067
where: short stacking energy: -71.130
Base-Backbone interact. energy: 2.291
local terms energy: -84.970300
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -15.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -195.267324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.267324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.267324 (E_RNA)
where:
Base-Base interactions energy: -108.105
where: short stacking energy: -68.442
Base-Backbone interact. energy: 0.070
local terms energy: -87.232589
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -19.105
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: 1
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -121.973811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.973811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.973811 (E_RNA)
where:
Base-Base interactions energy: -54.031
where: short stacking energy: -36.881
Base-Backbone interact. energy: -0.990
local terms energy: -66.953745
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -115.495996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.495996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.495996 (E_RNA)
where:
Base-Base interactions energy: -50.007
where: short stacking energy: -44.068
Base-Backbone interact. energy: -0.182
local terms energy: -65.307071
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -6.987
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: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -99.268512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.268512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.268512 (E_RNA)
where:
Base-Base interactions energy: -30.572
where: short stacking energy: -24.896
Base-Backbone interact. energy: -0.050
local terms energy: -68.646334
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -4.594
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: 4
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -99.049762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.049762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.049762 (E_RNA)
where:
Base-Base interactions energy: -36.297
where: short stacking energy: -24.553
Base-Backbone interact. energy: -1.729
local terms energy: -61.023693
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: 2.130
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -305.201061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.201061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.201061 (E_RNA)
where:
Base-Base interactions energy: -201.984
where: short stacking energy: -93.010
Base-Backbone interact. energy: -0.848
local terms energy: -102.368438
where:
bonds (distance) C4'-P energy: -21.886
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -21.510
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -26.320
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: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -302.216089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.216089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.216089 (E_RNA)
where:
Base-Base interactions energy: -197.647
where: short stacking energy: -86.717
Base-Backbone interact. energy: -1.175
local terms energy: -103.394492
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -25.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -267.790840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.790840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.790840 (E_RNA)
where:
Base-Base interactions energy: -169.642
where: short stacking energy: -85.627
Base-Backbone interact. energy: -0.324
local terms energy: -97.824912
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -21.894
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -25.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -274.432442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.432442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.432442 (E_RNA)
where:
Base-Base interactions energy: -183.226
where: short stacking energy: -82.812
Base-Backbone interact. energy: -0.449
local terms energy: -90.757092
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -23.726
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -19.840
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: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -192.664690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.664690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.664690 (E_RNA)
where:
Base-Base interactions energy: -114.273
where: short stacking energy: -61.249
Base-Backbone interact. energy: 0.265
local terms energy: -78.656209
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -13.530
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: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -187.282492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.282492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.282492 (E_RNA)
where:
Base-Base interactions energy: -115.760
where: short stacking energy: -57.498
Base-Backbone interact. energy: -0.030
local terms energy: -71.492463
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -10.400
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: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -122.626329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.626329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.626329 (E_RNA)
where:
Base-Base interactions energy: -47.969
where: short stacking energy: -47.924
Base-Backbone interact. energy: 0.105
local terms energy: -74.762058
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -4.043
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: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -116.015492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.015492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.015492 (E_RNA)
where:
Base-Base interactions energy: -60.840
where: short stacking energy: -31.393
Base-Backbone interact. energy: -1.035
local terms energy: -54.139994
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -133.118568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.118568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.118568 (E_RNA)
where:
Base-Base interactions energy: -67.155
where: short stacking energy: -34.626
Base-Backbone interact. energy: -0.142
local terms energy: -65.821411
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -4.375
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: 252
Temperature: 1.350000
Total energy: -105.014208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.014208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.014208 (E_RNA)
where:
Base-Base interactions energy: -36.442
where: short stacking energy: -36.037
Base-Backbone interact. energy: -0.192
local terms energy: -68.380344
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -307.655994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.655994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.655994 (E_RNA)
where:
Base-Base interactions energy: -206.826
where: short stacking energy: -96.440
Base-Backbone interact. energy: -0.077
local terms energy: -100.752759
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -23.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -292.086683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.086683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.086683 (E_RNA)
where:
Base-Base interactions energy: -197.067
where: short stacking energy: -85.783
Base-Backbone interact. energy: -1.399
local terms energy: -93.620561
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -22.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -280.898715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.898715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.898715 (E_RNA)
where:
Base-Base interactions energy: -186.406
where: short stacking energy: -87.682
Base-Backbone interact. energy: -0.128
local terms energy: -94.364981
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -25.520
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: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -261.556821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.556821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.556821 (E_RNA)
where:
Base-Base interactions energy: -164.551
where: short stacking energy: -84.300
Base-Backbone interact. energy: -0.278
local terms energy: -96.727961
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -24.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -205.344777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.344777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.344777 (E_RNA)
where:
Base-Base interactions energy: -114.823
where: short stacking energy: -69.584
Base-Backbone interact. energy: -0.177
local terms energy: -90.344691
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -21.333
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: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -183.430556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.430556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.430556 (E_RNA)
where:
Base-Base interactions energy: -99.245
where: short stacking energy: -67.167
Base-Backbone interact. energy: -0.019
local terms energy: -84.166845
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -118.079119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.079119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.079119 (E_RNA)
where:
Base-Base interactions energy: -43.033
where: short stacking energy: -42.368
Base-Backbone interact. energy: -0.018
local terms energy: -75.028325
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -13.384
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: 8, replica: 1
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -159.060107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.060107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.060107 (E_RNA)
where:
Base-Base interactions energy: -83.505
where: short stacking energy: -49.883
Base-Backbone interact. energy: -0.771
local terms energy: -74.784460
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -104.218777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.218777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.218777 (E_RNA)
where:
Base-Base interactions energy: -45.443
where: short stacking energy: -34.102
Base-Backbone interact. energy: 0.931
local terms energy: -59.706712
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -97.631256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.631256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.631256 (E_RNA)
where:
Base-Base interactions energy: -25.286
where: short stacking energy: -24.162
Base-Backbone interact. energy: -0.214
local terms energy: -72.131541
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -20.209
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -3.102
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -299.687448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.687448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.687448 (E_RNA)
where:
Base-Base interactions energy: -196.747
where: short stacking energy: -94.268
Base-Backbone interact. energy: -0.719
local terms energy: -102.221248
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -27.376
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: 254
Temperature: 0.950000
Total energy: -294.615854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.615854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.615854 (E_RNA)
where:
Base-Base interactions energy: -202.667
where: short stacking energy: -97.336
Base-Backbone interact. energy: 3.327
local terms energy: -95.275239
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -24.954
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: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -275.078439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.078439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.078439 (E_RNA)
where:
Base-Base interactions energy: -177.946
where: short stacking energy: -84.380
Base-Backbone interact. energy: -0.073
local terms energy: -97.059117
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -21.531
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -21.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -273.469134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.469134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.469134 (E_RNA)
where:
Base-Base interactions energy: -172.310
where: short stacking energy: -79.062
Base-Backbone interact. energy: -0.673
local terms energy: -100.486434
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -23.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -204.250302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.250302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.250302 (E_RNA)
where:
Base-Base interactions energy: -111.672
where: short stacking energy: -76.152
Base-Backbone interact. energy: -0.759
local terms energy: -91.818455
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -22.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -198.000307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.000307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.000307 (E_RNA)
where:
Base-Base interactions energy: -111.727
where: short stacking energy: -66.627
Base-Backbone interact. energy: -0.413
local terms energy: -85.860159
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -9.881
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: 7, replica: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -141.329823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.329823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.329823 (E_RNA)
where:
Base-Base interactions energy: -73.561
where: short stacking energy: -39.042
Base-Backbone interact. energy: -0.166
local terms energy: -67.603186
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -115.108275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.108275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.108275 (E_RNA)
where:
Base-Base interactions energy: -51.256
where: short stacking energy: -50.312
Base-Backbone interact. energy: -0.145
local terms energy: -63.707045
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -8.475
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: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -95.666003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.666003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.666003 (E_RNA)
where:
Base-Base interactions energy: -31.556
where: short stacking energy: -28.437
Base-Backbone interact. energy: -0.158
local terms energy: -63.952403
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -125.647615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.647615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.647615 (E_RNA)
where:
Base-Base interactions energy: -66.138
where: short stacking energy: -40.594
Base-Backbone interact. energy: -0.130
local terms energy: -59.379515
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -11.494
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -8.706
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -298.725025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.725025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.725025 (E_RNA)
where:
Base-Base interactions energy: -199.859
where: short stacking energy: -88.527
Base-Backbone interact. energy: 0.438
local terms energy: -99.303489
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -22.072
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -19.895
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: 255
Temperature: 0.950000
Total energy: -288.673716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.673716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.673716 (E_RNA)
where:
Base-Base interactions energy: -188.373
where: short stacking energy: -90.824
Base-Backbone interact. energy: -0.140
local terms energy: -100.161095
where:
bonds (distance) C4'-P energy: -23.063
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -24.248
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -262.814716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.814716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.814716 (E_RNA)
where:
Base-Base interactions energy: -174.396
where: short stacking energy: -81.924
Base-Backbone interact. energy: 1.547
local terms energy: -89.965588
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -19.652
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: 9
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -278.896310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.896310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.896310 (E_RNA)
where:
Base-Base interactions energy: -177.944
where: short stacking energy: -84.503
Base-Backbone interact. energy: -0.465
local terms energy: -100.487103
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -23.749
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -25.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -214.279825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.279825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.279825 (E_RNA)
where:
Base-Base interactions energy: -118.984
where: short stacking energy: -68.960
Base-Backbone interact. energy: -0.654
local terms energy: -94.642254
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -184.842074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.842074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.842074 (E_RNA)
where:
Base-Base interactions energy: -104.906
where: short stacking energy: -60.474
Base-Backbone interact. energy: -0.153
local terms energy: -79.782313
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -19.602
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -10.339
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: 7, replica: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -159.515405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.515405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.515405 (E_RNA)
where:
Base-Base interactions energy: -82.509
where: short stacking energy: -48.497
Base-Backbone interact. energy: -0.118
local terms energy: -76.887848
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -8.423
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: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -108.720875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.720875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.720875 (E_RNA)
where:
Base-Base interactions energy: -50.586
where: short stacking energy: -49.860
Base-Backbone interact. energy: -0.984
local terms energy: -57.150293
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -2.529
tors. eta vs tors. theta energy: -4.514
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: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -115.355802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.355802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.355802 (E_RNA)
where:
Base-Base interactions energy: -48.617
where: short stacking energy: -35.007
Base-Backbone interact. energy: -0.377
local terms energy: -66.361859
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -5.225
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -130.376825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.376825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.376825 (E_RNA)
where:
Base-Base interactions energy: -58.912
where: short stacking energy: -27.701
Base-Backbone interact. energy: -1.101
local terms energy: -70.364667
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -306.264644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.264644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.264644 (E_RNA)
where:
Base-Base interactions energy: -204.072
where: short stacking energy: -94.841
Base-Backbone interact. energy: -0.683
local terms energy: -101.510007
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -21.963
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -24.777
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: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -294.026197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.026197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.026197 (E_RNA)
where:
Base-Base interactions energy: -192.377
where: short stacking energy: -85.103
Base-Backbone interact. energy: -0.242
local terms energy: -101.407533
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -17.285
tors. eta vs tors. theta energy: -21.422
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: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -275.200759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.200759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.200759 (E_RNA)
where:
Base-Base interactions energy: -175.546
where: short stacking energy: -92.444
Base-Backbone interact. energy: -0.765
local terms energy: -98.890232
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -23.458
flat angles P-C4'-P energy: -9.669
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: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -263.953974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.953974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.953974 (E_RNA)
where:
Base-Base interactions energy: -173.379
where: short stacking energy: -78.845
Base-Backbone interact. energy: -0.092
local terms energy: -90.482943
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -182.077678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.077678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.077678 (E_RNA)
where:
Base-Base interactions energy: -101.303
where: short stacking energy: -53.249
Base-Backbone interact. energy: -0.315
local terms energy: -80.459617
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -10.506
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: 3
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -216.946990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.946990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.946990 (E_RNA)
where:
Base-Base interactions energy: -136.116
where: short stacking energy: -61.143
Base-Backbone interact. energy: 0.001
local terms energy: -80.831708
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -21.196
flat angles P-C4'-P energy: -13.579
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: 7, replica: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -112.825515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.825515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.825515 (E_RNA)
where:
Base-Base interactions energy: -40.900
where: short stacking energy: -38.596
Base-Backbone interact. energy: -0.402
local terms energy: -71.523371
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -116.192385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.192385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.192385 (E_RNA)
where:
Base-Base interactions energy: -48.811
where: short stacking energy: -43.768
Base-Backbone interact. energy: -0.255
local terms energy: -67.126487
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -8.949
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -8.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -134.520205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.520205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.520205 (E_RNA)
where:
Base-Base interactions energy: -75.521
where: short stacking energy: -35.337
Base-Backbone interact. energy: 1.429
local terms energy: -60.428737
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: 0.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -108.514889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.514889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.514889 (E_RNA)
where:
Base-Base interactions energy: -48.455
where: short stacking energy: -41.351
Base-Backbone interact. energy: -0.180
local terms energy: -59.879663
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -12.129
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -306.330132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.330132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.330132 (E_RNA)
where:
Base-Base interactions energy: -208.011
where: short stacking energy: -90.126
Base-Backbone interact. energy: -0.400
local terms energy: -97.919903
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -22.678
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: 257
Temperature: 0.950000
Total energy: -290.770101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.770101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.770101 (E_RNA)
where:
Base-Base interactions energy: -184.582
where: short stacking energy: -87.008
Base-Backbone interact. energy: -0.128
local terms energy: -106.059417
where:
bonds (distance) C4'-P energy: -21.553
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -23.448
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: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -284.818066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.818066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.818066 (E_RNA)
where:
Base-Base interactions energy: -187.253
where: short stacking energy: -89.602
Base-Backbone interact. energy: -0.287
local terms energy: -97.277970
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -24.905
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: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -262.869526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.869526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.869526 (E_RNA)
where:
Base-Base interactions energy: -171.067
where: short stacking energy: -84.454
Base-Backbone interact. energy: -0.733
local terms energy: -91.068841
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -12.945
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: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -227.964925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.964925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.964925 (E_RNA)
where:
Base-Base interactions energy: -133.148
where: short stacking energy: -55.120
Base-Backbone interact. energy: -0.433
local terms energy: -94.383838
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -17.506
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: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -200.397016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.397016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.397016 (E_RNA)
where:
Base-Base interactions energy: -106.921
where: short stacking energy: -58.222
Base-Backbone interact. energy: -0.078
local terms energy: -93.398331
where:
bonds (distance) C4'-P energy: -22.040
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -19.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -123.632088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.632088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.632088 (E_RNA)
where:
Base-Base interactions energy: -58.331
where: short stacking energy: -47.715
Base-Backbone interact. energy: 0.730
local terms energy: -66.030838
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -9.620
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: 8, replica: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -133.570135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.570135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.570135 (E_RNA)
where:
Base-Base interactions energy: -71.032
where: short stacking energy: -41.265
Base-Backbone interact. energy: -0.605
local terms energy: -61.932875
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -1.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -109.814559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.814559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.814559 (E_RNA)
where:
Base-Base interactions energy: -37.538
where: short stacking energy: -37.074
Base-Backbone interact. energy: -0.924
local terms energy: -71.352394
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -4.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -110.469831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.469831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.469831 (E_RNA)
where:
Base-Base interactions energy: -35.553
where: short stacking energy: -33.507
Base-Backbone interact. energy: 0.657
local terms energy: -75.573118
where:
bonds (distance) C4'-P energy: -20.849
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -1.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -299.033389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.033389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.033389 (E_RNA)
where:
Base-Base interactions energy: -200.937
where: short stacking energy: -92.651
Base-Backbone interact. energy: 1.031
local terms energy: -99.127429
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -22.342
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -22.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -312.699531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.699531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.699531 (E_RNA)
where:
Base-Base interactions energy: -205.944
where: short stacking energy: -98.203
Base-Backbone interact. energy: -0.785
local terms energy: -105.970224
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -32.878
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: 3, replica: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -290.437608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.437608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.437608 (E_RNA)
where:
Base-Base interactions energy: -185.624
where: short stacking energy: -88.485
Base-Backbone interact. energy: -0.286
local terms energy: -104.527592
where:
bonds (distance) C4'-P energy: -23.125
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -22.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -260.618204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.618204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.618204 (E_RNA)
where:
Base-Base interactions energy: -171.950
where: short stacking energy: -85.321
Base-Backbone interact. energy: 1.671
local terms energy: -90.339889
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -20.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -216.871723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.871723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.871723 (E_RNA)
where:
Base-Base interactions energy: -129.060
where: short stacking energy: -70.986
Base-Backbone interact. energy: -0.345
local terms energy: -87.467063
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -207.614462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.614462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.614462 (E_RNA)
where:
Base-Base interactions energy: -127.980
where: short stacking energy: -63.225
Base-Backbone interact. energy: -0.533
local terms energy: -79.100707
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -165.635415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.635415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.635415 (E_RNA)
where:
Base-Base interactions energy: -90.548
where: short stacking energy: -59.325
Base-Backbone interact. energy: -0.106
local terms energy: -74.980991
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -11.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -114.584926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.584926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.584926 (E_RNA)
where:
Base-Base interactions energy: -35.505
where: short stacking energy: -34.602
Base-Backbone interact. energy: -0.213
local terms energy: -78.867073
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -9.768
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: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -109.044990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.044990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.044990 (E_RNA)
where:
Base-Base interactions energy: -36.156
where: short stacking energy: -36.156
Base-Backbone interact. energy: -0.020
local terms energy: -72.869366
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -104.578678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.578678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.578678 (E_RNA)
where:
Base-Base interactions energy: -37.477
where: short stacking energy: -36.449
Base-Backbone interact. energy: -0.218
local terms energy: -66.883315
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -302.236661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.236661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.236661 (E_RNA)
where:
Base-Base interactions energy: -205.141
where: short stacking energy: -94.939
Base-Backbone interact. energy: 0.553
local terms energy: -97.648970
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -23.832
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: 5
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -297.135017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.135017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.135017 (E_RNA)
where:
Base-Base interactions energy: -196.985
where: short stacking energy: -88.647
Base-Backbone interact. energy: -0.317
local terms energy: -99.833176
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -23.908
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -24.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -287.175689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.175689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.175689 (E_RNA)
where:
Base-Base interactions energy: -186.971
where: short stacking energy: -84.656
Base-Backbone interact. energy: 1.995
local terms energy: -102.199278
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -26.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -255.862968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.862968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.862968 (E_RNA)
where:
Base-Base interactions energy: -165.947
where: short stacking energy: -82.632
Base-Backbone interact. energy: -0.536
local terms energy: -89.379487
where:
bonds (distance) C4'-P energy: -21.428
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -220.695513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.695513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.695513 (E_RNA)
where:
Base-Base interactions energy: -138.234
where: short stacking energy: -58.122
Base-Backbone interact. energy: -0.261
local terms energy: -82.200636
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -15.801
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: 259
Temperature: 1.150000
Total energy: -161.650007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.650007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.650007 (E_RNA)
where:
Base-Base interactions energy: -86.464
where: short stacking energy: -56.986
Base-Backbone interact. energy: -0.583
local terms energy: -74.602455
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -9.845
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: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -173.058111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.058111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.058111 (E_RNA)
where:
Base-Base interactions energy: -91.998
where: short stacking energy: -50.934
Base-Backbone interact. energy: -0.023
local terms energy: -81.037541
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -11.360
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: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -109.328056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.328056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.328056 (E_RNA)
where:
Base-Base interactions energy: -43.044
where: short stacking energy: -39.252
Base-Backbone interact. energy: -0.218
local terms energy: -66.066522
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -101.719420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.719420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.719420 (E_RNA)
where:
Base-Base interactions energy: -49.415
where: short stacking energy: -41.108
Base-Backbone interact. energy: -0.097
local terms energy: -52.207445
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: 1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -105.697816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.697816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.697816 (E_RNA)
where:
Base-Base interactions energy: -41.503
where: short stacking energy: -34.601
Base-Backbone interact. energy: 0.497
local terms energy: -64.691372
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -8.739
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -304.299918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.299918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.299918 (E_RNA)
where:
Base-Base interactions energy: -197.367
where: short stacking energy: -91.612
Base-Backbone interact. energy: -0.604
local terms energy: -106.328953
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -27.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -293.281565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.281565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.281565 (E_RNA)
where:
Base-Base interactions energy: -194.270
where: short stacking energy: -92.006
Base-Backbone interact. energy: -0.739
local terms energy: -98.272986
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -19.777
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -25.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -280.845848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.845848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.845848 (E_RNA)
where:
Base-Base interactions energy: -186.708
where: short stacking energy: -92.860
Base-Backbone interact. energy: -0.004
local terms energy: -94.133223
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -15.645
tors. eta vs tors. theta energy: -26.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -254.198383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.198383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.198383 (E_RNA)
where:
Base-Base interactions energy: -179.935
where: short stacking energy: -81.481
Base-Backbone interact. energy: -0.624
local terms energy: -73.638852
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -14.943
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: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -207.757889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.757889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.757889 (E_RNA)
where:
Base-Base interactions energy: -121.398
where: short stacking energy: -77.029
Base-Backbone interact. energy: -0.897
local terms energy: -85.463133
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -20.342
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: 6, replica: 7
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -134.240012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.240012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.240012 (E_RNA)
where:
Base-Base interactions energy: -62.955
where: short stacking energy: -54.871
Base-Backbone interact. energy: -0.223
local terms energy: -71.061942
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -185.638993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.638993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.638993 (E_RNA)
where:
Base-Base interactions energy: -113.645
where: short stacking energy: -52.343
Base-Backbone interact. energy: -0.269
local terms energy: -71.724147
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -8.259
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: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -140.907377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.907377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.907377 (E_RNA)
where:
Base-Base interactions energy: -72.037
where: short stacking energy: -42.528
Base-Backbone interact. energy: 0.157
local terms energy: -69.028042
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -98.508113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.508113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.508113 (E_RNA)
where:
Base-Base interactions energy: -31.355
where: short stacking energy: -27.779
Base-Backbone interact. energy: -0.321
local terms energy: -66.831561
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -8.689
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -103.780625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.780625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.780625 (E_RNA)
where:
Base-Base interactions energy: -45.580
where: short stacking energy: -33.242
Base-Backbone interact. energy: 0.341
local terms energy: -58.541659
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -304.516531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.516531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.516531 (E_RNA)
where:
Base-Base interactions energy: -201.631
where: short stacking energy: -94.899
Base-Backbone interact. energy: -0.703
local terms energy: -102.182429
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -24.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -290.396211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.396211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.396211 (E_RNA)
where:
Base-Base interactions energy: -187.041
where: short stacking energy: -81.609
Base-Backbone interact. energy: -0.540
local terms energy: -102.815331
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -27.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -297.526367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.526367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.526367 (E_RNA)
where:
Base-Base interactions energy: -186.249
where: short stacking energy: -98.737
Base-Backbone interact. energy: -0.227
local terms energy: -111.051049
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -17.357
tors. eta vs tors. theta energy: -29.951
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: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -251.057261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.057261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.057261 (E_RNA)
where:
Base-Base interactions energy: -163.110
where: short stacking energy: -85.904
Base-Backbone interact. energy: -0.963
local terms energy: -86.984295
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -9.998
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -21.712
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: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -192.128070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.128070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.128070 (E_RNA)
where:
Base-Base interactions energy: -114.975
where: short stacking energy: -58.654
Base-Backbone interact. energy: -0.140
local terms energy: -77.012363
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -169.239145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.239145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.239145 (E_RNA)
where:
Base-Base interactions energy: -88.200
where: short stacking energy: -58.223
Base-Backbone interact. energy: -0.020
local terms energy: -81.018281
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -120.429595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.429595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.429595 (E_RNA)
where:
Base-Base interactions energy: -47.839
where: short stacking energy: -42.400
Base-Backbone interact. energy: 0.675
local terms energy: -73.265155
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -110.988395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.988395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.988395 (E_RNA)
where:
Base-Base interactions energy: -37.043
where: short stacking energy: -36.232
Base-Backbone interact. energy: -0.211
local terms energy: -73.735110
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -5.999
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: 261
Temperature: 1.300000
Total energy: -118.740209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.740209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.740209 (E_RNA)
where:
Base-Base interactions energy: -58.223
where: short stacking energy: -43.350
Base-Backbone interact. energy: -0.210
local terms energy: -60.307015
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -0.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -110.190711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.190711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.190711 (E_RNA)
where:
Base-Base interactions energy: -43.347
where: short stacking energy: -33.634
Base-Backbone interact. energy: -1.926
local terms energy: -64.918262
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -4.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -311.070820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.070820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.070820 (E_RNA)
where:
Base-Base interactions energy: -203.094
where: short stacking energy: -84.350
Base-Backbone interact. energy: -0.549
local terms energy: -107.428094
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -24.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -298.675164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.675164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.675164 (E_RNA)
where:
Base-Base interactions energy: -197.785
where: short stacking energy: -95.888
Base-Backbone interact. energy: 0.058
local terms energy: -100.948650
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -22.402
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: 262
Temperature: 1.000000
Total energy: -259.150162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.150162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.150162 (E_RNA)
where:
Base-Base interactions energy: -164.253
where: short stacking energy: -79.598
Base-Backbone interact. energy: -0.634
local terms energy: -94.263294
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -23.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -266.672483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.672483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.672483 (E_RNA)
where:
Base-Base interactions energy: -181.009
where: short stacking energy: -88.409
Base-Backbone interact. energy: 0.858
local terms energy: -86.521274
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -22.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -164.311870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.311870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.311870 (E_RNA)
where:
Base-Base interactions energy: -90.794
where: short stacking energy: -51.587
Base-Backbone interact. energy: -0.000
local terms energy: -73.517925
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -7.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -163.122539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.122539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.122539 (E_RNA)
where:
Base-Base interactions energy: -88.069
where: short stacking energy: -54.599
Base-Backbone interact. energy: -0.125
local terms energy: -74.928747
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -5.240
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: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -158.896968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.896968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.896968 (E_RNA)
where:
Base-Base interactions energy: -78.014
where: short stacking energy: -47.953
Base-Backbone interact. energy: -1.299
local terms energy: -79.584001
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -23.190
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -10.176
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: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -113.221619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.221619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.221619 (E_RNA)
where:
Base-Base interactions energy: -61.517
where: short stacking energy: -38.177
Base-Backbone interact. energy: -0.449
local terms energy: -51.255393
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: 1.669
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: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -107.452898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.452898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.452898 (E_RNA)
where:
Base-Base interactions energy: -38.439
where: short stacking energy: -35.591
Base-Backbone interact. energy: -1.095
local terms energy: -67.918837
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -4.840
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: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -95.764039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.764039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.764039 (E_RNA)
where:
Base-Base interactions energy: -35.092
where: short stacking energy: -33.053
Base-Backbone interact. energy: 0.467
local terms energy: -61.138505
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -0.642
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -299.548058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.548058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.548058 (E_RNA)
where:
Base-Base interactions energy: -196.266
where: short stacking energy: -91.113
Base-Backbone interact. energy: -0.929
local terms energy: -102.353218
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -16.752
tors. eta vs tors. theta energy: -21.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -307.381092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.381092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.381092 (E_RNA)
where:
Base-Base interactions energy: -202.077
where: short stacking energy: -99.033
Base-Backbone interact. energy: -0.090
local terms energy: -105.213817
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -27.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -281.164696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.164696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.164696 (E_RNA)
where:
Base-Base interactions energy: -180.469
where: short stacking energy: -82.336
Base-Backbone interact. energy: 0.016
local terms energy: -100.711833
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -25.247
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: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -263.447733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.447733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.447733 (E_RNA)
where:
Base-Base interactions energy: -179.689
where: short stacking energy: -73.267
Base-Backbone interact. energy: -0.465
local terms energy: -83.293376
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -22.286
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -19.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -136.004485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.004485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.004485 (E_RNA)
where:
Base-Base interactions energy: -55.911
where: short stacking energy: -48.306
Base-Backbone interact. energy: -0.611
local terms energy: -79.482072
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -9.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -182.882003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.882003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.882003 (E_RNA)
where:
Base-Base interactions energy: -106.989
where: short stacking energy: -59.098
Base-Backbone interact. energy: -1.629
local terms energy: -74.263887
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -19.958
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -7.351
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: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -126.132128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.132128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.132128 (E_RNA)
where:
Base-Base interactions energy: -50.920
where: short stacking energy: -42.278
Base-Backbone interact. energy: -0.346
local terms energy: -74.866646
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -10.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -98.564122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.564122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.564122 (E_RNA)
where:
Base-Base interactions energy: -38.888
where: short stacking energy: -40.888
Base-Backbone interact. energy: -0.067
local terms energy: -59.609974
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -6.147
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: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -111.170730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.170730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.170730 (E_RNA)
where:
Base-Base interactions energy: -53.471
where: short stacking energy: -32.056
Base-Backbone interact. energy: -0.415
local terms energy: -57.285433
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: 2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -98.810547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.810547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.810547 (E_RNA)
where:
Base-Base interactions energy: -33.407
where: short stacking energy: -33.542
Base-Backbone interact. energy: -0.201
local terms energy: -65.203103
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -10.051
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -303.500743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.500743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.500743 (E_RNA)
where:
Base-Base interactions energy: -204.534
where: short stacking energy: -92.930
Base-Backbone interact. energy: -1.248
local terms energy: -97.719243
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -19.580
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: 5
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -294.335874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.335874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.335874 (E_RNA)
where:
Base-Base interactions energy: -190.337
where: short stacking energy: -86.753
Base-Backbone interact. energy: -0.210
local terms energy: -103.788673
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -286.420101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.420101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.420101 (E_RNA)
where:
Base-Base interactions energy: -191.566
where: short stacking energy: -88.993
Base-Backbone interact. energy: -0.607
local terms energy: -94.247736
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -20.571
flat angles C4'-P-C4' energy: -23.474
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -23.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -263.453948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.453948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.453948 (E_RNA)
where:
Base-Base interactions energy: -167.096
where: short stacking energy: -86.756
Base-Backbone interact. energy: -0.183
local terms energy: -96.174543
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -21.370
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: 5, replica: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -191.232145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.232145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.232145 (E_RNA)
where:
Base-Base interactions energy: -107.886
where: short stacking energy: -64.130
Base-Backbone interact. energy: 0.177
local terms energy: -83.523775
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -13.767
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: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -142.672828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.672828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.672828 (E_RNA)
where:
Base-Base interactions energy: -63.786
where: short stacking energy: -63.547
Base-Backbone interact. energy: 0.183
local terms energy: -79.069995
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -18.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -117.066053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.066053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.066053 (E_RNA)
where:
Base-Base interactions energy: -57.937
where: short stacking energy: -44.333
Base-Backbone interact. energy: -0.468
local terms energy: -58.660424
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -10.179
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: 8, replica: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -117.625718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.625718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.625718 (E_RNA)
where:
Base-Base interactions energy: -55.507
where: short stacking energy: -46.568
Base-Backbone interact. energy: -0.608
local terms energy: -61.511688
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -6.085
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: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -116.297090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.297090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.297090 (E_RNA)
where:
Base-Base interactions energy: -49.288
where: short stacking energy: -33.626
Base-Backbone interact. energy: 2.183
local terms energy: -69.192102
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -2.749
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: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -123.637707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.637707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.637707 (E_RNA)
where:
Base-Base interactions energy: -69.478
where: short stacking energy: -43.094
Base-Backbone interact. energy: -0.579
local terms energy: -53.580646
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -6.245
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: 2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -298.793001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.793001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.793001 (E_RNA)
where:
Base-Base interactions energy: -193.785
where: short stacking energy: -90.359
Base-Backbone interact. energy: -0.025
local terms energy: -104.982716
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -24.959
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: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -278.447376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.447376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.447376 (E_RNA)
where:
Base-Base interactions energy: -176.526
where: short stacking energy: -90.759
Base-Backbone interact. energy: -0.164
local terms energy: -101.757612
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -20.362
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -22.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -297.512717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.512717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.512717 (E_RNA)
where:
Base-Base interactions energy: -196.236
where: short stacking energy: -72.664
Base-Backbone interact. energy: -0.602
local terms energy: -100.674646
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -19.555
tors. eta vs tors. theta energy: -22.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -268.015200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.015200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.015200 (E_RNA)
where:
Base-Base interactions energy: -171.770
where: short stacking energy: -80.039
Base-Backbone interact. energy: -0.334
local terms energy: -95.911208
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -23.434
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: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -187.674952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.674952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.674952 (E_RNA)
where:
Base-Base interactions energy: -107.097
where: short stacking energy: -69.131
Base-Backbone interact. energy: -0.060
local terms energy: -80.517820
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -21.374
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -140.256316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.256316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.256316 (E_RNA)
where:
Base-Base interactions energy: -67.463
where: short stacking energy: -43.962
Base-Backbone interact. energy: 0.652
local terms energy: -73.445060
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -4.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -121.804633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.804633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.804633 (E_RNA)
where:
Base-Base interactions energy: -53.398
where: short stacking energy: -53.398
Base-Backbone interact. energy: -0.098
local terms energy: -68.308650
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -13.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -107.030244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.030244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.030244 (E_RNA)
where:
Base-Base interactions energy: -47.384
where: short stacking energy: -47.384
Base-Backbone interact. energy: -1.023
local terms energy: -58.623314
where:
bonds (distance) C4'-P energy: -21.114
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -5.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -100.638442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.638442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.638442 (E_RNA)
where:
Base-Base interactions energy: -43.820
where: short stacking energy: -44.790
Base-Backbone interact. energy: 2.719
local terms energy: -59.537938
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -6.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -123.360777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.360777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.360777 (E_RNA)
where:
Base-Base interactions energy: -60.793
where: short stacking energy: -37.574
Base-Backbone interact. energy: -0.212
local terms energy: -62.355264
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: 0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -310.133534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.133534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.133534 (E_RNA)
where:
Base-Base interactions energy: -204.173
where: short stacking energy: -96.803
Base-Backbone interact. energy: -0.310
local terms energy: -105.650321
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -22.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -281.521163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.521163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.521163 (E_RNA)
where:
Base-Base interactions energy: -185.740
where: short stacking energy: -80.587
Base-Backbone interact. energy: -0.040
local terms energy: -95.741285
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -22.350
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -288.685004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.685004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.685004 (E_RNA)
where:
Base-Base interactions energy: -188.450
where: short stacking energy: -94.365
Base-Backbone interact. energy: -1.291
local terms energy: -98.943785
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -20.096
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -26.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -263.785793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.785793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.785793 (E_RNA)
where:
Base-Base interactions energy: -168.429
where: short stacking energy: -74.715
Base-Backbone interact. energy: 0.324
local terms energy: -95.680704
where:
bonds (distance) C4'-P energy: -20.552
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -22.837
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -16.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -200.660314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.660314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.660314 (E_RNA)
where:
Base-Base interactions energy: -134.993
where: short stacking energy: -63.917
Base-Backbone interact. energy: 1.722
local terms energy: -67.390027
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -10.065
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: 6, replica: 1
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -132.436332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.436332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.436332 (E_RNA)
where:
Base-Base interactions energy: -61.356
where: short stacking energy: -51.909
Base-Backbone interact. energy: -0.558
local terms energy: -70.523194
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -6.787
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: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -159.550303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.550303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.550303 (E_RNA)
where:
Base-Base interactions energy: -87.940
where: short stacking energy: -43.067
Base-Backbone interact. energy: -1.578
local terms energy: -70.032118
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -5.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -127.182046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.182046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.182046 (E_RNA)
where:
Base-Base interactions energy: -59.523
where: short stacking energy: -50.378
Base-Backbone interact. energy: -0.596
local terms energy: -67.063144
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -10.359
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: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -103.290057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.290057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.290057 (E_RNA)
where:
Base-Base interactions energy: -35.951
where: short stacking energy: -33.761
Base-Backbone interact. energy: -0.423
local terms energy: -66.915369
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -4.933
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: 3
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -108.989669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.989669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.989669 (E_RNA)
where:
Base-Base interactions energy: -52.048
where: short stacking energy: -35.870
Base-Backbone interact. energy: 0.376
local terms energy: -57.316901
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -305.046723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.046723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.046723 (E_RNA)
where:
Base-Base interactions energy: -198.848
where: short stacking energy: -91.379
Base-Backbone interact. energy: -0.291
local terms energy: -105.907611
where:
bonds (distance) C4'-P energy: -22.555
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -21.379
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: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -296.935572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.935572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.935572 (E_RNA)
where:
Base-Base interactions energy: -189.464
where: short stacking energy: -95.728
Base-Backbone interact. energy: -0.075
local terms energy: -107.395674
where:
bonds (distance) C4'-P energy: -22.202
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -25.794
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -29.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -286.094243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.094243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.094243 (E_RNA)
where:
Base-Base interactions energy: -183.445
where: short stacking energy: -89.629
Base-Backbone interact. energy: 0.251
local terms energy: -102.899840
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -26.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -264.186247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.186247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.186247 (E_RNA)
where:
Base-Base interactions energy: -174.819
where: short stacking energy: -78.964
Base-Backbone interact. energy: -1.022
local terms energy: -88.345536
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -21.609
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -19.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -202.925688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.925688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.925688 (E_RNA)
where:
Base-Base interactions energy: -118.681
where: short stacking energy: -70.216
Base-Backbone interact. energy: -0.203
local terms energy: -84.041166
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -11.746
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: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -174.604906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.604906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.604906 (E_RNA)
where:
Base-Base interactions energy: -99.633
where: short stacking energy: -47.054
Base-Backbone interact. energy: -0.709
local terms energy: -74.263042
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -20.350
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -123.678231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.678231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.678231 (E_RNA)
where:
Base-Base interactions energy: -55.144
where: short stacking energy: -43.648
Base-Backbone interact. energy: 2.304
local terms energy: -70.837920
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -6.688
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: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -105.032128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.032128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.032128 (E_RNA)
where:
Base-Base interactions energy: -42.945
where: short stacking energy: -42.945
Base-Backbone interact. energy: 0.172
local terms energy: -62.259161
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -6.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -122.699334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.699334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.699334 (E_RNA)
where:
Base-Base interactions energy: -47.814
where: short stacking energy: -47.814
Base-Backbone interact. energy: -0.185
local terms energy: -74.700639
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -8.730
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: 10, replica: 3
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -106.142837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.142837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.142837 (E_RNA)
where:
Base-Base interactions energy: -51.486
where: short stacking energy: -34.893
Base-Backbone interact. energy: -0.174
local terms energy: -54.482638
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -20.671
flat angles C4'-P-C4' energy: -7.274
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -313.420096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.420096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.420096 (E_RNA)
where:
Base-Base interactions energy: -201.445
where: short stacking energy: -94.797
Base-Backbone interact. energy: -1.292
local terms energy: -110.683681
where:
bonds (distance) C4'-P energy: -22.784
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -28.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -297.531289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.531289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.531289 (E_RNA)
where:
Base-Base interactions energy: -201.325
where: short stacking energy: -85.441
Base-Backbone interact. energy: -0.268
local terms energy: -95.938427
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -21.631
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -22.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -269.003875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.003875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.003875 (E_RNA)
where:
Base-Base interactions energy: -182.268
where: short stacking energy: -77.976
Base-Backbone interact. energy: -1.418
local terms energy: -85.317895
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -9.883
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: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -259.967750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.967750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.967750 (E_RNA)
where:
Base-Base interactions energy: -175.679
where: short stacking energy: -72.187
Base-Backbone interact. energy: 1.506
local terms energy: -85.795195
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -23.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -196.243595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.243595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.243595 (E_RNA)
where:
Base-Base interactions energy: -115.111
where: short stacking energy: -57.172
Base-Backbone interact. energy: -0.090
local terms energy: -81.042217
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -168.144909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.144909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.144909 (E_RNA)
where:
Base-Base interactions energy: -90.481
where: short stacking energy: -44.706
Base-Backbone interact. energy: -0.207
local terms energy: -77.457599
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -15.165
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: 7, replica: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -119.936391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.936391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.936391 (E_RNA)
where:
Base-Base interactions energy: -44.468
where: short stacking energy: -31.694
Base-Backbone interact. energy: -0.499
local terms energy: -74.969436
where:
bonds (distance) C4'-P energy: -23.354
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -113.395916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.395916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.395916 (E_RNA)
where:
Base-Base interactions energy: -40.758
where: short stacking energy: -35.732
Base-Backbone interact. energy: -0.511
local terms energy: -72.126856
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -21.410
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -1.810
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: 3
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -99.087204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.087204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.087204 (E_RNA)
where:
Base-Base interactions energy: -33.478
where: short stacking energy: -25.964
Base-Backbone interact. energy: -0.075
local terms energy: -65.533611
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -97.852417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.852417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.852417 (E_RNA)
where:
Base-Base interactions energy: -32.849
where: short stacking energy: -26.495
Base-Backbone interact. energy: -0.670
local terms energy: -64.333702
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: -4.215
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -305.685546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.685546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.685546 (E_RNA)
where:
Base-Base interactions energy: -200.901
where: short stacking energy: -95.772
Base-Backbone interact. energy: -0.115
local terms energy: -104.669489
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -22.915
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -24.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -289.073572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.073572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.073572 (E_RNA)
where:
Base-Base interactions energy: -190.721
where: short stacking energy: -83.211
Base-Backbone interact. energy: -0.471
local terms energy: -97.881395
where:
bonds (distance) C4'-P energy: -22.025
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -22.470
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: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -286.841175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.841175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.841175 (E_RNA)
where:
Base-Base interactions energy: -177.074
where: short stacking energy: -72.141
Base-Backbone interact. energy: -0.059
local terms energy: -109.707406
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -18.721
tors. eta vs tors. theta energy: -24.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -286.430037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.430037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.430037 (E_RNA)
where:
Base-Base interactions energy: -200.135
where: short stacking energy: -81.107
Base-Backbone interact. energy: -1.471
local terms energy: -84.823814
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -195.393519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.393519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.393519 (E_RNA)
where:
Base-Base interactions energy: -107.295
where: short stacking energy: -65.244
Base-Backbone interact. energy: -0.270
local terms energy: -87.829003
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -127.744413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.744413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.744413 (E_RNA)
where:
Base-Base interactions energy: -64.423
where: short stacking energy: -47.614
Base-Backbone interact. energy: -0.874
local terms energy: -62.448033
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: 1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -156.551115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.551115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.551115 (E_RNA)
where:
Base-Base interactions energy: -85.693
where: short stacking energy: -53.146
Base-Backbone interact. energy: -0.159
local terms energy: -70.699479
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -12.459
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: 3
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -105.406300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.406300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.406300 (E_RNA)
where:
Base-Base interactions energy: -34.740
where: short stacking energy: -29.728
Base-Backbone interact. energy: -0.117
local terms energy: -70.548982
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -117.066907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.066907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.066907 (E_RNA)
where:
Base-Base interactions energy: -48.898
where: short stacking energy: -43.636
Base-Backbone interact. energy: -0.186
local terms energy: -67.983009
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -4.369
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: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -97.145077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.145077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.145077 (E_RNA)
where:
Base-Base interactions energy: -33.812
where: short stacking energy: -33.812
Base-Backbone interact. energy: -0.309
local terms energy: -63.024469
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: 0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -312.131503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.131503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.131503 (E_RNA)
where:
Base-Base interactions energy: -207.751
where: short stacking energy: -98.537
Base-Backbone interact. energy: 0.479
local terms energy: -104.860275
where:
bonds (distance) C4'-P energy: -22.149
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -25.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -270.083730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.083730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.083730 (E_RNA)
where:
Base-Base interactions energy: -177.136
where: short stacking energy: -84.377
Base-Backbone interact. energy: -1.493
local terms energy: -91.454212
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -22.895
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -287.160808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.160808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.160808 (E_RNA)
where:
Base-Base interactions energy: -190.521
where: short stacking energy: -82.749
Base-Backbone interact. energy: -0.664
local terms energy: -95.976434
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -22.756
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -21.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -292.901377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.901377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.901377 (E_RNA)
where:
Base-Base interactions energy: -201.672
where: short stacking energy: -86.644
Base-Backbone interact. energy: -0.947
local terms energy: -90.282216
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -25.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -183.516346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.516346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.516346 (E_RNA)
where:
Base-Base interactions energy: -114.225
where: short stacking energy: -48.677
Base-Backbone interact. energy: -0.681
local terms energy: -68.610005
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -129.825784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.825784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.825784 (E_RNA)
where:
Base-Base interactions energy: -65.366
where: short stacking energy: -57.862
Base-Backbone interact. energy: -0.058
local terms energy: -64.402063
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -6.361
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: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -127.102793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.102793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.102793 (E_RNA)
where:
Base-Base interactions energy: -65.959
where: short stacking energy: -42.258
Base-Backbone interact. energy: -0.224
local terms energy: -60.919867
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -12.687
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: 8, replica: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -169.786470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.786470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.786470 (E_RNA)
where:
Base-Base interactions energy: -87.157
where: short stacking energy: -48.639
Base-Backbone interact. energy: -0.305
local terms energy: -82.323924
where:
bonds (distance) C4'-P energy: -20.134
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -120.119498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.119498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.119498 (E_RNA)
where:
Base-Base interactions energy: -50.873
where: short stacking energy: -50.873
Base-Backbone interact. energy: 0.572
local terms energy: -69.819090
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -102.530829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.530829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.530829 (E_RNA)
where:
Base-Base interactions energy: -40.258
where: short stacking energy: -33.442
Base-Backbone interact. energy: -0.235
local terms energy: -62.037159
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -1.028
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -306.487510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.487510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.487510 (E_RNA)
where:
Base-Base interactions energy: -199.855
where: short stacking energy: -93.196
Base-Backbone interact. energy: -0.150
local terms energy: -106.482361
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -23.026
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -23.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -284.547942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.547942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.547942 (E_RNA)
where:
Base-Base interactions energy: -184.316
where: short stacking energy: -86.843
Base-Backbone interact. energy: -0.223
local terms energy: -100.008865
where:
bonds (distance) C4'-P energy: -21.503
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -265.199329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.199329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.199329 (E_RNA)
where:
Base-Base interactions energy: -166.105
where: short stacking energy: -84.134
Base-Backbone interact. energy: -0.738
local terms energy: -98.355984
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -21.412
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -297.600304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.600304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.600304 (E_RNA)
where:
Base-Base interactions energy: -199.764
where: short stacking energy: -82.848
Base-Backbone interact. energy: -2.264
local terms energy: -95.572393
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -21.930
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -23.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -169.716406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.716406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.716406 (E_RNA)
where:
Base-Base interactions energy: -102.359
where: short stacking energy: -50.456
Base-Backbone interact. energy: -0.188
local terms energy: -67.169703
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -4.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -165.775245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.775245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.775245 (E_RNA)
where:
Base-Base interactions energy: -96.828
where: short stacking energy: -62.467
Base-Backbone interact. energy: -0.279
local terms energy: -68.668398
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -6.632
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: 7, replica: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -120.725438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.725438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.725438 (E_RNA)
where:
Base-Base interactions energy: -54.645
where: short stacking energy: -46.255
Base-Backbone interact. energy: -0.151
local terms energy: -65.929916
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -15.212
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: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -147.299475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.299475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.299475 (E_RNA)
where:
Base-Base interactions energy: -71.865
where: short stacking energy: -46.159
Base-Backbone interact. energy: -0.809
local terms energy: -74.625448
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -131.632312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.632312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.632312 (E_RNA)
where:
Base-Base interactions energy: -64.986
where: short stacking energy: -55.153
Base-Backbone interact. energy: -0.060
local terms energy: -66.585490
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -100.799676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.799676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.799676 (E_RNA)
where:
Base-Base interactions energy: -33.219
where: short stacking energy: -31.050
Base-Backbone interact. energy: 0.660
local terms energy: -68.241163
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -13.635
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -296.715975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.715975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.715975 (E_RNA)
where:
Base-Base interactions energy: -198.924
where: short stacking energy: -96.644
Base-Backbone interact. energy: -1.102
local terms energy: -96.689545
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -23.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -303.176865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.176865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.176865 (E_RNA)
where:
Base-Base interactions energy: -203.106
where: short stacking energy: -91.861
Base-Backbone interact. energy: -0.111
local terms energy: -99.960283
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -301.063277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.063277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.063277 (E_RNA)
where:
Base-Base interactions energy: -215.340
where: short stacking energy: -95.662
Base-Backbone interact. energy: -0.104
local terms energy: -85.618390
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -21.950
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -24.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -240.768941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.768941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.768941 (E_RNA)
where:
Base-Base interactions energy: -162.799
where: short stacking energy: -67.951
Base-Backbone interact. energy: -0.022
local terms energy: -77.948442
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -16.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -180.549470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.549470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.549470 (E_RNA)
where:
Base-Base interactions energy: -94.256
where: short stacking energy: -58.494
Base-Backbone interact. energy: -0.114
local terms energy: -86.179276
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -15.413
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: 6, replica: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -177.286800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.286800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.286800 (E_RNA)
where:
Base-Base interactions energy: -105.416
where: short stacking energy: -59.756
Base-Backbone interact. energy: -0.315
local terms energy: -71.555082
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -12.802
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: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -135.259986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.259986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.259986 (E_RNA)
where:
Base-Base interactions energy: -60.969
where: short stacking energy: -44.438
Base-Backbone interact. energy: 1.737
local terms energy: -76.027631
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -20.698
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -110.992684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.992684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.992684 (E_RNA)
where:
Base-Base interactions energy: -52.013
where: short stacking energy: -40.232
Base-Backbone interact. energy: -0.188
local terms energy: -58.791737
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -0.652
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: 1
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -104.648930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.648930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.648930 (E_RNA)
where:
Base-Base interactions energy: -42.722
where: short stacking energy: -42.722
Base-Backbone interact. energy: 0.527
local terms energy: -62.454095
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -118.459901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.459901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.459901 (E_RNA)
where:
Base-Base interactions energy: -49.523
where: short stacking energy: -49.085
Base-Backbone interact. energy: -0.942
local terms energy: -67.995553
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -6.256
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -308.318305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.318305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.318305 (E_RNA)
where:
Base-Base interactions energy: -200.620
where: short stacking energy: -98.892
Base-Backbone interact. energy: -0.905
local terms energy: -106.793360
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -28.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -311.690362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.690362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.690362 (E_RNA)
where:
Base-Base interactions energy: -216.484
where: short stacking energy: -90.964
Base-Backbone interact. energy: 0.415
local terms energy: -95.621762
where:
bonds (distance) C4'-P energy: -19.119
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -23.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -297.637783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.637783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.637783 (E_RNA)
where:
Base-Base interactions energy: -197.068
where: short stacking energy: -88.251
Base-Backbone interact. energy: -0.056
local terms energy: -100.513525
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -17.348
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: 4, replica: 9
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -235.272246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.272246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.272246 (E_RNA)
where:
Base-Base interactions energy: -154.655
where: short stacking energy: -62.102
Base-Backbone interact. energy: -1.622
local terms energy: -78.994765
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -10.063
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: 5, replica: 7
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -171.909887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.909887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.909887 (E_RNA)
where:
Base-Base interactions energy: -89.872
where: short stacking energy: -58.022
Base-Backbone interact. energy: -0.684
local terms energy: -81.353128
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -9.909
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: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -168.420909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.420909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.420909 (E_RNA)
where:
Base-Base interactions energy: -94.860
where: short stacking energy: -63.342
Base-Backbone interact. energy: -0.108
local terms energy: -73.453292
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -12.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -152.495404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.495404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.495404 (E_RNA)
where:
Base-Base interactions energy: -77.657
where: short stacking energy: -46.819
Base-Backbone interact. energy: -0.172
local terms energy: -74.666435
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -21.240
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -103.072174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.072174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.072174 (E_RNA)
where:
Base-Base interactions energy: -42.906
where: short stacking energy: -23.539
Base-Backbone interact. energy: 1.062
local terms energy: -61.227874
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: 3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -100.944958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.944958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.944958 (E_RNA)
where:
Base-Base interactions energy: -50.977
where: short stacking energy: -23.022
Base-Backbone interact. energy: 1.121
local terms energy: -51.088999
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -2.600
tors. eta vs tors. theta energy: 6.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -92.933977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.933977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.933977 (E_RNA)
where:
Base-Base interactions energy: -28.828
where: short stacking energy: -22.031
Base-Backbone interact. energy: -0.213
local terms energy: -63.893253
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -14.140
tors. eta vs tors. theta energy: -1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -305.505087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.505087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.505087 (E_RNA)
where:
Base-Base interactions energy: -208.116
where: short stacking energy: -97.662
Base-Backbone interact. energy: -1.152
local terms energy: -96.237140
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -22.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -300.227137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.227137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.227137 (E_RNA)
where:
Base-Base interactions energy: -207.353
where: short stacking energy: -97.094
Base-Backbone interact. energy: -0.388
local terms energy: -92.486010
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -22.325
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -27.878
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: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -285.689361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.689361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.689361 (E_RNA)
where:
Base-Base interactions energy: -187.278
where: short stacking energy: -84.933
Base-Backbone interact. energy: -0.419
local terms energy: -97.992268
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -23.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -261.626200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.626200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.626200 (E_RNA)
where:
Base-Base interactions energy: -163.367
where: short stacking energy: -74.099
Base-Backbone interact. energy: -0.401
local terms energy: -97.858142
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -21.212
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: 5, replica: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -195.661462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.661462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.661462 (E_RNA)
where:
Base-Base interactions energy: -110.163
where: short stacking energy: -65.143
Base-Backbone interact. energy: 0.730
local terms energy: -86.228406
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -18.983
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: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -212.517045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.517045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.517045 (E_RNA)
where:
Base-Base interactions energy: -126.335
where: short stacking energy: -75.842
Base-Backbone interact. energy: -0.342
local terms energy: -85.839892
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -110.186606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.186606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.186606 (E_RNA)
where:
Base-Base interactions energy: -47.161
where: short stacking energy: -36.166
Base-Backbone interact. energy: -0.147
local terms energy: -62.878880
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -115.796377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.796377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.796377 (E_RNA)
where:
Base-Base interactions energy: -44.517
where: short stacking energy: -44.517
Base-Backbone interact. energy: -0.283
local terms energy: -70.996593
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -114.914749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.914749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.914749 (E_RNA)
where:
Base-Base interactions energy: -45.558
where: short stacking energy: -39.682
Base-Backbone interact. energy: -0.193
local terms energy: -69.164140
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -12.573
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: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -99.259391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.259391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.259391 (E_RNA)
where:
Base-Base interactions energy: -42.890
where: short stacking energy: -37.270
Base-Backbone interact. energy: -0.451
local terms energy: -55.918522
where:
bonds (distance) C4'-P energy: -9.024
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: 0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -309.451247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.451247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.451247 (E_RNA)
where:
Base-Base interactions energy: -204.079
where: short stacking energy: -86.592
Base-Backbone interact. energy: 0.052
local terms energy: -105.423834
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -22.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -295.291657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.291657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.291657 (E_RNA)
where:
Base-Base interactions energy: -193.196
where: short stacking energy: -90.075
Base-Backbone interact. energy: -0.592
local terms energy: -101.503056
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -24.956
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: 275
Temperature: 1.000000
Total energy: -296.945287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.945287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.945287 (E_RNA)
where:
Base-Base interactions energy: -196.245
where: short stacking energy: -91.533
Base-Backbone interact. energy: -0.108
local terms energy: -100.591515
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -25.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -253.966081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.966081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.966081 (E_RNA)
where:
Base-Base interactions energy: -159.823
where: short stacking energy: -79.704
Base-Backbone interact. energy: -0.615
local terms energy: -93.527948
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -19.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -214.450142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.450142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.450142 (E_RNA)
where:
Base-Base interactions energy: -125.308
where: short stacking energy: -82.879
Base-Backbone interact. energy: -0.525
local terms energy: -88.617306
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -22.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -192.931186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.931186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.931186 (E_RNA)
where:
Base-Base interactions energy: -112.007
where: short stacking energy: -63.363
Base-Backbone interact. energy: -0.248
local terms energy: -80.675252
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -11.143
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: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -121.166777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.166777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.166777 (E_RNA)
where:
Base-Base interactions energy: -51.451
where: short stacking energy: -39.732
Base-Backbone interact. energy: -0.698
local terms energy: -69.017908
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -3.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -114.317305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.317305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.317305 (E_RNA)
where:
Base-Base interactions energy: -45.912
where: short stacking energy: -36.806
Base-Backbone interact. energy: -0.193
local terms energy: -68.212696
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -20.926
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -6.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -106.832748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.832748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.832748 (E_RNA)
where:
Base-Base interactions energy: -47.090
where: short stacking energy: -32.754
Base-Backbone interact. energy: -1.238
local terms energy: -58.504420
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -104.889591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.889591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.889591 (E_RNA)
where:
Base-Base interactions energy: -38.486
where: short stacking energy: -28.876
Base-Backbone interact. energy: -0.114
local terms energy: -66.288768
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -6.738
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -308.039607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.039607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.039607 (E_RNA)
where:
Base-Base interactions energy: -210.444
where: short stacking energy: -95.316
Base-Backbone interact. energy: -2.175
local terms energy: -95.420874
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -19.018
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -25.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -292.031942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.031942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.031942 (E_RNA)
where:
Base-Base interactions energy: -190.992
where: short stacking energy: -83.158
Base-Backbone interact. energy: -0.861
local terms energy: -100.179015
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -26.727
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: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -258.474983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.474983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.474983 (E_RNA)
where:
Base-Base interactions energy: -174.242
where: short stacking energy: -75.765
Base-Backbone interact. energy: 0.200
local terms energy: -84.432669
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -17.010
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: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -275.413774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.413774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.413774 (E_RNA)
where:
Base-Base interactions energy: -173.784
where: short stacking energy: -84.159
Base-Backbone interact. energy: -0.025
local terms energy: -101.605165
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -23.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -218.589105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.589105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.589105 (E_RNA)
where:
Base-Base interactions energy: -138.012
where: short stacking energy: -65.825
Base-Backbone interact. energy: -0.327
local terms energy: -80.250352
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -13.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -179.811059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.811059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.811059 (E_RNA)
where:
Base-Base interactions energy: -117.254
where: short stacking energy: -54.972
Base-Backbone interact. energy: 0.959
local terms energy: -63.515907
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -132.740970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.740970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.740970 (E_RNA)
where:
Base-Base interactions energy: -59.729
where: short stacking energy: -50.662
Base-Backbone interact. energy: -0.192
local terms energy: -72.819973
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -7.557
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: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -109.161989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.161989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.161989 (E_RNA)
where:
Base-Base interactions energy: -37.959
where: short stacking energy: -31.450
Base-Backbone interact. energy: -0.188
local terms energy: -71.015475
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -13.645
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: 9, replica: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -100.138554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.138554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.138554 (E_RNA)
where:
Base-Base interactions energy: -44.567
where: short stacking energy: -28.476
Base-Backbone interact. energy: -0.102
local terms energy: -55.468966
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -15.575
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: 10, replica: 4
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -104.639953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.639953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.639953 (E_RNA)
where:
Base-Base interactions energy: -50.382
where: short stacking energy: -33.704
Base-Backbone interact. energy: -1.615
local terms energy: -52.642055
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: 3.838
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -313.967438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.967438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.967438 (E_RNA)
where:
Base-Base interactions energy: -207.858
where: short stacking energy: -91.129
Base-Backbone interact. energy: -0.598
local terms energy: -105.511730
where:
bonds (distance) C4'-P energy: -22.683
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -23.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -293.226429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.226429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.226429 (E_RNA)
where:
Base-Base interactions energy: -195.131
where: short stacking energy: -88.252
Base-Backbone interact. energy: -0.678
local terms energy: -97.417300
where:
bonds (distance) C4'-P energy: -20.328
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -22.307
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: 3, replica: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -272.472607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.472607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.472607 (E_RNA)
where:
Base-Base interactions energy: -173.022
where: short stacking energy: -93.378
Base-Backbone interact. energy: -1.020
local terms energy: -98.430853
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -25.802
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: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -273.093751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.093751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.093751 (E_RNA)
where:
Base-Base interactions energy: -182.704
where: short stacking energy: -82.696
Base-Backbone interact. energy: -1.310
local terms energy: -89.079791
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -20.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -219.277754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.277754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.277754 (E_RNA)
where:
Base-Base interactions energy: -123.526
where: short stacking energy: -74.282
Base-Backbone interact. energy: -0.044
local terms energy: -95.708173
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -201.490366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.490366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.490366 (E_RNA)
where:
Base-Base interactions energy: -114.305
where: short stacking energy: -79.306
Base-Backbone interact. energy: -1.000
local terms energy: -86.184698
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -121.309872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.309872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.309872 (E_RNA)
where:
Base-Base interactions energy: -54.321
where: short stacking energy: -40.183
Base-Backbone interact. energy: -0.553
local terms energy: -66.435154
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -3.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -116.350508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.350508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.350508 (E_RNA)
where:
Base-Base interactions energy: -41.166
where: short stacking energy: -29.665
Base-Backbone interact. energy: -0.173
local terms energy: -75.011824
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -4.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -100.491810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.491810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.491810 (E_RNA)
where:
Base-Base interactions energy: -35.552
where: short stacking energy: -32.796
Base-Backbone interact. energy: 1.233
local terms energy: -66.172516
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -22.041
flat angles C4'-P-C4' energy: -9.176
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -108.845361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.845361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.845361 (E_RNA)
where:
Base-Base interactions energy: -41.492
where: short stacking energy: -36.299
Base-Backbone interact. energy: -0.397
local terms energy: -66.955840
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -16.038
tors. eta vs tors. theta energy: -0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -308.519272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.519272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.519272 (E_RNA)
where:
Base-Base interactions energy: -219.776
where: short stacking energy: -97.159
Base-Backbone interact. energy: -0.378
local terms energy: -88.365323
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -18.860
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: 278
Temperature: 0.950000
Total energy: -290.480929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.480929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.480929 (E_RNA)
where:
Base-Base interactions energy: -196.379
where: short stacking energy: -83.214
Base-Backbone interact. energy: -1.545
local terms energy: -92.557324
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -8.904
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: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -284.572983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.572983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.572983 (E_RNA)
where:
Base-Base interactions energy: -188.575
where: short stacking energy: -82.381
Base-Backbone interact. energy: -0.717
local terms energy: -95.281260
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -22.952
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -24.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -257.867037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.867037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.867037 (E_RNA)
where:
Base-Base interactions energy: -164.368
where: short stacking energy: -85.223
Base-Backbone interact. energy: -0.012
local terms energy: -93.486286
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -22.300
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -20.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -246.807721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.807721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.807721 (E_RNA)
where:
Base-Base interactions energy: -159.065
where: short stacking energy: -71.877
Base-Backbone interact. energy: 1.960
local terms energy: -89.702533
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -20.361
flat angles P-C4'-P energy: -16.901
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -192.510365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.510365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.510365 (E_RNA)
where:
Base-Base interactions energy: -114.384
where: short stacking energy: -69.314
Base-Backbone interact. energy: -0.429
local terms energy: -77.697257
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -14.959
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: 7, replica: 3
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -117.083179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.083179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.083179 (E_RNA)
where:
Base-Base interactions energy: -40.096
where: short stacking energy: -39.978
Base-Backbone interact. energy: -1.256
local terms energy: -75.730984
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -13.972
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: 8, replica: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -114.802131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.802131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.802131 (E_RNA)
where:
Base-Base interactions energy: -45.787
where: short stacking energy: -33.098
Base-Backbone interact. energy: 0.647
local terms energy: -69.661636
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -101.858489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.858489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.858489 (E_RNA)
where:
Base-Base interactions energy: -37.150
where: short stacking energy: -36.046
Base-Backbone interact. energy: -0.393
local terms energy: -64.315214
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -96.268551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.268551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.268551 (E_RNA)
where:
Base-Base interactions energy: -28.993
where: short stacking energy: -28.386
Base-Backbone interact. energy: 1.978
local terms energy: -69.254524
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -4.170
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -312.008918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.008918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.008918 (E_RNA)
where:
Base-Base interactions energy: -211.922
where: short stacking energy: -89.257
Base-Backbone interact. energy: -0.531
local terms energy: -99.555864
where:
bonds (distance) C4'-P energy: -25.258
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -25.487
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: 279
Temperature: 0.950000
Total energy: -289.077494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.077494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.077494 (E_RNA)
where:
Base-Base interactions energy: -189.988
where: short stacking energy: -86.067
Base-Backbone interact. energy: -0.358
local terms energy: -98.731916
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -23.428
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -20.840
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: 3, replica: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -286.038016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.038016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.038016 (E_RNA)
where:
Base-Base interactions energy: -194.789
where: short stacking energy: -94.488
Base-Backbone interact. energy: -0.886
local terms energy: -90.363846
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -24.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -270.888089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.888089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.888089 (E_RNA)
where:
Base-Base interactions energy: -166.107
where: short stacking energy: -88.641
Base-Backbone interact. energy: -0.625
local terms energy: -104.156324
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -23.695
flat angles P-C4'-P energy: -14.850
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: 5, replica: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -261.258091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.258091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.258091 (E_RNA)
where:
Base-Base interactions energy: -160.401
where: short stacking energy: -80.951
Base-Backbone interact. energy: -1.415
local terms energy: -99.442612
where:
bonds (distance) C4'-P energy: -21.988
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -20.519
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: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -200.709429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.709429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.709429 (E_RNA)
where:
Base-Base interactions energy: -115.842
where: short stacking energy: -60.645
Base-Backbone interact. energy: -0.863
local terms energy: -84.004141
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -12.040
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: 279
Temperature: 1.200000
Total energy: -133.267751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.267751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.267751 (E_RNA)
where:
Base-Base interactions energy: -61.421
where: short stacking energy: -57.867
Base-Backbone interact. energy: -1.097
local terms energy: -70.749978
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -13.549
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: 279
Temperature: 1.250000
Total energy: -130.042194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.042194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.042194 (E_RNA)
where:
Base-Base interactions energy: -64.639
where: short stacking energy: -52.866
Base-Backbone interact. energy: -0.250
local terms energy: -65.152774
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -10.277
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: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -100.827921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.827921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.827921 (E_RNA)
where:
Base-Base interactions energy: -34.877
where: short stacking energy: -34.685
Base-Backbone interact. energy: -0.208
local terms energy: -65.743020
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -18.254
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -108.167606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.167606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.167606 (E_RNA)
where:
Base-Base interactions energy: -41.011
where: short stacking energy: -39.607
Base-Backbone interact. energy: -0.483
local terms energy: -66.673871
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -7.045
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -297.129725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.129725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.129725 (E_RNA)
where:
Base-Base interactions energy: -208.157
where: short stacking energy: -89.764
Base-Backbone interact. energy: -1.349
local terms energy: -87.623529
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -15.489
tors. eta vs tors. theta energy: -21.068
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: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -306.656845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.656845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.656845 (E_RNA)
where:
Base-Base interactions energy: -202.964
where: short stacking energy: -85.790
Base-Backbone interact. energy: -0.802
local terms energy: -102.890369
where:
bonds (distance) C4'-P energy: -21.251
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -24.109
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: 6
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -289.830990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.830990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.830990 (E_RNA)
where:
Base-Base interactions energy: -194.869
where: short stacking energy: -92.841
Base-Backbone interact. energy: -1.299
local terms energy: -93.663250
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -14.785
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: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -286.560617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.560617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.560617 (E_RNA)
where:
Base-Base interactions energy: -187.647
where: short stacking energy: -98.183
Base-Backbone interact. energy: -0.114
local terms energy: -98.800154
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -21.925
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -28.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -258.348622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.348622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.348622 (E_RNA)
where:
Base-Base interactions energy: -164.969
where: short stacking energy: -85.989
Base-Backbone interact. energy: -0.363
local terms energy: -93.016535
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -22.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -193.544896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.544896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.544896 (E_RNA)
where:
Base-Base interactions energy: -114.527
where: short stacking energy: -56.672
Base-Backbone interact. energy: -0.121
local terms energy: -78.896379
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -9.640
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: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -124.766090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.766090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.766090 (E_RNA)
where:
Base-Base interactions energy: -46.730
where: short stacking energy: -46.229
Base-Backbone interact. energy: -0.230
local terms energy: -77.805922
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -21.230
flat angles C4'-P-C4' energy: -19.478
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -7.739
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: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -115.844081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.844081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.844081 (E_RNA)
where:
Base-Base interactions energy: -42.006
where: short stacking energy: -32.975
Base-Backbone interact. energy: -0.258
local terms energy: -73.580530
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -24.420
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -106.246845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.246845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.246845 (E_RNA)
where:
Base-Base interactions energy: -43.588
where: short stacking energy: -34.925
Base-Backbone interact. energy: -2.427
local terms energy: -60.231720
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -1.594
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: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -108.874562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.874562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.874562 (E_RNA)
where:
Base-Base interactions energy: -45.180
where: short stacking energy: -43.757
Base-Backbone interact. energy: 0.210
local terms energy: -63.904948
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -5.303
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -292.266189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.266189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.266189 (E_RNA)
where:
Base-Base interactions energy: -195.699
where: short stacking energy: -90.236
Base-Backbone interact. energy: -0.229
local terms energy: -96.338453
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -21.157
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -22.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -311.017364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.017364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.017364 (E_RNA)
where:
Base-Base interactions energy: -218.082
where: short stacking energy: -93.248
Base-Backbone interact. energy: -0.087
local terms energy: -92.848411
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -23.084
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: 6
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -267.470954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.470954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.470954 (E_RNA)
where:
Base-Base interactions energy: -162.774
where: short stacking energy: -79.031
Base-Backbone interact. energy: -0.003
local terms energy: -104.693894
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -22.717
flat angles P-C4'-P energy: -18.442
tors. eta vs tors. theta energy: -23.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -264.655230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.655230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.655230 (E_RNA)
where:
Base-Base interactions energy: -171.022
where: short stacking energy: -75.723
Base-Backbone interact. energy: -0.132
local terms energy: -93.500891
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -22.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -270.247655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.247655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.247655 (E_RNA)
where:
Base-Base interactions energy: -169.654
where: short stacking energy: -77.718
Base-Backbone interact. energy: -1.042
local terms energy: -99.552335
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -22.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -198.170786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.170786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.170786 (E_RNA)
where:
Base-Base interactions energy: -108.990
where: short stacking energy: -54.514
Base-Backbone interact. energy: -0.828
local terms energy: -88.353460
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -12.279
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: 7, replica: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -115.165911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.165911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.165911 (E_RNA)
where:
Base-Base interactions energy: -36.300
where: short stacking energy: -36.300
Base-Backbone interact. energy: -0.335
local terms energy: -78.530569
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -11.185
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: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -111.996259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.996259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.996259 (E_RNA)
where:
Base-Base interactions energy: -39.334
where: short stacking energy: -33.530
Base-Backbone interact. energy: -0.154
local terms energy: -72.507821
where:
bonds (distance) C4'-P energy: -18.641
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: 0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -107.814803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.814803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.814803 (E_RNA)
where:
Base-Base interactions energy: -51.941
where: short stacking energy: -27.418
Base-Backbone interact. energy: -0.320
local terms energy: -55.553969
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: 0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -111.975701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.975701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.975701 (E_RNA)
where:
Base-Base interactions energy: -56.030
where: short stacking energy: -38.544
Base-Backbone interact. energy: 1.809
local terms energy: -57.754539
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -313.301410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.301410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.301410 (E_RNA)
where:
Base-Base interactions energy: -214.737
where: short stacking energy: -90.256
Base-Backbone interact. energy: -0.229
local terms energy: -98.334948
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -23.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -293.814115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.814115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.814115 (E_RNA)
where:
Base-Base interactions energy: -190.133
where: short stacking energy: -84.913
Base-Backbone interact. energy: -0.014
local terms energy: -103.666360
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -23.534
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: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -279.474482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.474482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.474482 (E_RNA)
where:
Base-Base interactions energy: -184.760
where: short stacking energy: -100.180
Base-Backbone interact. energy: 0.370
local terms energy: -95.085176
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -26.983
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: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -273.700478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.700478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.700478 (E_RNA)
where:
Base-Base interactions energy: -185.202
where: short stacking energy: -76.299
Base-Backbone interact. energy: -0.098
local terms energy: -88.400539
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -19.274
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: 282
Temperature: 1.100000
Total energy: -259.141610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.141610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.141610 (E_RNA)
where:
Base-Base interactions energy: -168.714
where: short stacking energy: -82.314
Base-Backbone interact. energy: -1.470
local terms energy: -88.957378
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -16.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -183.951402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.951402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.951402 (E_RNA)
where:
Base-Base interactions energy: -110.282
where: short stacking energy: -55.671
Base-Backbone interact. energy: -0.083
local terms energy: -73.586035
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -14.536
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: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -137.402075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.402075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.402075 (E_RNA)
where:
Base-Base interactions energy: -65.753
where: short stacking energy: -63.121
Base-Backbone interact. energy: -0.215
local terms energy: -71.433715
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -121.719678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.719678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.719678 (E_RNA)
where:
Base-Base interactions energy: -50.306
where: short stacking energy: -46.555
Base-Backbone interact. energy: -0.019
local terms energy: -71.394353
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -20.083
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -9.737
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: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -120.078437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.078437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.078437 (E_RNA)
where:
Base-Base interactions energy: -53.815
where: short stacking energy: -24.587
Base-Backbone interact. energy: 1.287
local terms energy: -67.549700
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -16.107
tors. eta vs tors. theta energy: -3.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -102.594464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.594464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.594464 (E_RNA)
where:
Base-Base interactions energy: -39.244
where: short stacking energy: -32.241
Base-Backbone interact. energy: -0.578
local terms energy: -62.772194
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -6.106
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -313.769505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.769505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.769505 (E_RNA)
where:
Base-Base interactions energy: -216.719
where: short stacking energy: -93.551
Base-Backbone interact. energy: 0.331
local terms energy: -97.381521
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -24.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -289.004747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.004747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.004747 (E_RNA)
where:
Base-Base interactions energy: -196.741
where: short stacking energy: -91.097
Base-Backbone interact. energy: -0.036
local terms energy: -92.227509
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -22.898
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -20.134
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: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -279.791625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.791625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.791625 (E_RNA)
where:
Base-Base interactions energy: -179.728
where: short stacking energy: -90.308
Base-Backbone interact. energy: -0.295
local terms energy: -99.768592
where:
bonds (distance) C4'-P energy: -22.332
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -20.639
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: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -269.125642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.125642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.125642 (E_RNA)
where:
Base-Base interactions energy: -175.722
where: short stacking energy: -86.642
Base-Backbone interact. energy: -1.469
local terms energy: -91.934326
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -19.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -258.318917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.318917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.318917 (E_RNA)
where:
Base-Base interactions energy: -173.270
where: short stacking energy: -79.306
Base-Backbone interact. energy: -0.360
local terms energy: -84.689326
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -18.192
tors. eta vs tors. theta energy: -22.134
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: 283
Temperature: 1.150000
Total energy: -178.166916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.166916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.166916 (E_RNA)
where:
Base-Base interactions energy: -100.079
where: short stacking energy: -62.297
Base-Backbone interact. energy: -0.213
local terms energy: -77.874769
where:
bonds (distance) C4'-P energy: -18.883
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -9.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -128.332882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.332882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.332882 (E_RNA)
where:
Base-Base interactions energy: -50.525
where: short stacking energy: -48.428
Base-Backbone interact. energy: 0.054
local terms energy: -77.862473
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -13.812
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: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -111.225222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.225222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.225222 (E_RNA)
where:
Base-Base interactions energy: -54.271
where: short stacking energy: -48.222
Base-Backbone interact. energy: -0.085
local terms energy: -56.869483
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -8.713
flat angles P-C4'-P energy: -8.784
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: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -103.685146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.685146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.685146 (E_RNA)
where:
Base-Base interactions energy: -28.176
where: short stacking energy: -29.417
Base-Backbone interact. energy: -0.671
local terms energy: -74.838014
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: 1.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -111.952493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.952493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.952493 (E_RNA)
where:
Base-Base interactions energy: -47.872
where: short stacking energy: -35.489
Base-Backbone interact. energy: 0.610
local terms energy: -64.690276
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: 2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -312.118423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.118423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.118423 (E_RNA)
where:
Base-Base interactions energy: -211.144
where: short stacking energy: -91.303
Base-Backbone interact. energy: -0.906
local terms energy: -100.068495
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -24.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -297.709670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.709670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.709670 (E_RNA)
where:
Base-Base interactions energy: -199.134
where: short stacking energy: -92.665
Base-Backbone interact. energy: -1.210
local terms energy: -97.366134
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -19.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -282.193243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.193243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.193243 (E_RNA)
where:
Base-Base interactions energy: -180.071
where: short stacking energy: -86.223
Base-Backbone interact. energy: -0.191
local terms energy: -101.931028
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -22.160
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -26.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -255.325405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.325405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.325405 (E_RNA)
where:
Base-Base interactions energy: -167.236
where: short stacking energy: -81.613
Base-Backbone interact. energy: 0.582
local terms energy: -88.671236
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -24.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -257.162720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.162720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.162720 (E_RNA)
where:
Base-Base interactions energy: -171.595
where: short stacking energy: -72.865
Base-Backbone interact. energy: -0.642
local terms energy: -84.926176
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -18.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -172.147304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.147304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.147304 (E_RNA)
where:
Base-Base interactions energy: -103.536
where: short stacking energy: -57.002
Base-Backbone interact. energy: -0.206
local terms energy: -68.405551
where:
bonds (distance) C4'-P energy: -9.645
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -10.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -121.310372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.310372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.310372 (E_RNA)
where:
Base-Base interactions energy: -59.956
where: short stacking energy: -49.248
Base-Backbone interact. energy: 1.927
local terms energy: -63.281337
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -0.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -140.645338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.645338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.645338 (E_RNA)
where:
Base-Base interactions energy: -68.412
where: short stacking energy: -54.184
Base-Backbone interact. energy: -0.037
local terms energy: -72.196452
where:
bonds (distance) C4'-P energy: -22.699
bonds (distance) P-C4' energy: -20.251
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -7.928
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: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -120.154429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.154429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.154429 (E_RNA)
where:
Base-Base interactions energy: -55.402
where: short stacking energy: -40.570
Base-Backbone interact. energy: -0.118
local terms energy: -64.634589
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -5.567
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -97.976095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.976095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.976095 (E_RNA)
where:
Base-Base interactions energy: -38.780
where: short stacking energy: -22.039
Base-Backbone interact. energy: -0.090
local terms energy: -59.105773
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: 1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -307.532782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.532782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.532782 (E_RNA)
where:
Base-Base interactions energy: -206.584
where: short stacking energy: -86.086
Base-Backbone interact. energy: -1.599
local terms energy: -99.349537
where:
bonds (distance) C4'-P energy: -23.453
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -295.280956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.280956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.280956 (E_RNA)
where:
Base-Base interactions energy: -190.534
where: short stacking energy: -93.559
Base-Backbone interact. energy: 0.146
local terms energy: -104.893525
where:
bonds (distance) C4'-P energy: -22.070
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -24.005
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: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -278.305160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.305160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.305160 (E_RNA)
where:
Base-Base interactions energy: -177.313
where: short stacking energy: -83.758
Base-Backbone interact. energy: 0.633
local terms energy: -101.624730
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -23.268
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: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -274.733006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.733006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.733006 (E_RNA)
where:
Base-Base interactions energy: -178.058
where: short stacking energy: -84.849
Base-Backbone interact. energy: -0.477
local terms energy: -96.198847
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -249.279313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.279313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.279313 (E_RNA)
where:
Base-Base interactions energy: -157.802
where: short stacking energy: -84.506
Base-Backbone interact. energy: -0.039
local terms energy: -91.438313
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -23.633
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -22.296
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: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -209.591248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.591248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.591248 (E_RNA)
where:
Base-Base interactions energy: -119.136
where: short stacking energy: -66.169
Base-Backbone interact. energy: -0.118
local terms energy: -90.337367
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -133.143342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.143342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.143342 (E_RNA)
where:
Base-Base interactions energy: -52.397
where: short stacking energy: -46.733
Base-Backbone interact. energy: -0.026
local terms energy: -80.720312
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -20.419
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -11.590
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: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -111.276557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.276557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.276557 (E_RNA)
where:
Base-Base interactions energy: -58.405
where: short stacking energy: -38.220
Base-Backbone interact. energy: -0.462
local terms energy: -52.409152
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -17.479
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -112.548946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.548946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.548946 (E_RNA)
where:
Base-Base interactions energy: -37.865
where: short stacking energy: -37.570
Base-Backbone interact. energy: 3.727
local terms energy: -78.411080
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -22.730
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: -9.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -106.335566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.335566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.335566 (E_RNA)
where:
Base-Base interactions energy: -31.738
where: short stacking energy: -28.196
Base-Backbone interact. energy: -0.027
local terms energy: -74.570837
where:
bonds (distance) C4'-P energy: -22.256
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -0.471
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -306.173640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.173640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.173640 (E_RNA)
where:
Base-Base interactions energy: -203.615
where: short stacking energy: -86.464
Base-Backbone interact. energy: -0.145
local terms energy: -102.414145
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -17.733
tors. eta vs tors. theta energy: -23.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -303.194713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.194713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.194713 (E_RNA)
where:
Base-Base interactions energy: -199.701
where: short stacking energy: -91.680
Base-Backbone interact. energy: -0.196
local terms energy: -103.297987
where:
bonds (distance) C4'-P energy: -20.600
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -24.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -277.276410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.276410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.276410 (E_RNA)
where:
Base-Base interactions energy: -182.027
where: short stacking energy: -92.663
Base-Backbone interact. energy: -0.141
local terms energy: -95.108384
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -22.828
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -18.535
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: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -281.470224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.470224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.470224 (E_RNA)
where:
Base-Base interactions energy: -177.602
where: short stacking energy: -87.304
Base-Backbone interact. energy: -0.558
local terms energy: -103.310418
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -24.144
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -24.724
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: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -252.658538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.658538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.658538 (E_RNA)
where:
Base-Base interactions energy: -161.558
where: short stacking energy: -86.183
Base-Backbone interact. energy: 0.665
local terms energy: -91.766162
where:
bonds (distance) C4'-P energy: -19.600
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -21.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -200.272592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.272592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.272592 (E_RNA)
where:
Base-Base interactions energy: -116.806
where: short stacking energy: -65.940
Base-Backbone interact. energy: -0.074
local terms energy: -83.392362
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -17.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -134.950854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.950854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.950854 (E_RNA)
where:
Base-Base interactions energy: -54.405
where: short stacking energy: -53.608
Base-Backbone interact. energy: 0.026
local terms energy: -80.571181
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -21.462
flat angles P-C4'-P energy: -15.097
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -131.795454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.795454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.795454 (E_RNA)
where:
Base-Base interactions energy: -53.246
where: short stacking energy: -43.024
Base-Backbone interact. energy: 0.037
local terms energy: -78.586255
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -23.449
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -6.548
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: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -117.693616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.693616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.693616 (E_RNA)
where:
Base-Base interactions energy: -41.280
where: short stacking energy: -38.597
Base-Backbone interact. energy: -0.201
local terms energy: -76.213213
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -10.257
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: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -100.742616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.742616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.742616 (E_RNA)
where:
Base-Base interactions energy: -48.872
where: short stacking energy: -33.873
Base-Backbone interact. energy: -0.863
local terms energy: -51.007744
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -20.419
flat angles C4'-P-C4' energy: -5.380
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: 1.810
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -318.773904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.773904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.773904 (E_RNA)
where:
Base-Base interactions energy: -218.231
where: short stacking energy: -91.625
Base-Backbone interact. energy: -0.194
local terms energy: -100.348193
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -28.311
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: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -268.380520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.380520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.380520 (E_RNA)
where:
Base-Base interactions energy: -171.732
where: short stacking energy: -88.104
Base-Backbone interact. energy: -0.591
local terms energy: -96.057750
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -24.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -281.798683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.798683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.798683 (E_RNA)
where:
Base-Base interactions energy: -188.576
where: short stacking energy: -75.807
Base-Backbone interact. energy: 1.585
local terms energy: -94.807310
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -22.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -280.066960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.066960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.066960 (E_RNA)
where:
Base-Base interactions energy: -185.818
where: short stacking energy: -90.804
Base-Backbone interact. energy: -0.077
local terms energy: -94.171505
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -25.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -242.313827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.313827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.313827 (E_RNA)
where:
Base-Base interactions energy: -165.789
where: short stacking energy: -74.244
Base-Backbone interact. energy: -0.205
local terms energy: -76.319406
where:
bonds (distance) C4'-P energy: -21.299
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -16.854
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: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -190.750396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.750396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.750396 (E_RNA)
where:
Base-Base interactions energy: -109.596
where: short stacking energy: -57.904
Base-Backbone interact. energy: 1.645
local terms energy: -82.800236
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -19.218
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -15.758
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: 7, replica: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -119.548772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.548772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.548772 (E_RNA)
where:
Base-Base interactions energy: -50.442
where: short stacking energy: -37.709
Base-Backbone interact. energy: 0.904
local terms energy: -70.010338
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -21.086
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -4.620
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: 287
Temperature: 1.250000
Total energy: -131.478240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.478240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.478240 (E_RNA)
where:
Base-Base interactions energy: -74.654
where: short stacking energy: -47.716
Base-Backbone interact. energy: -0.027
local terms energy: -56.796798
where:
bonds (distance) C4'-P energy: -7.923
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -105.663337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.663337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.663337 (E_RNA)
where:
Base-Base interactions energy: -40.639
where: short stacking energy: -34.033
Base-Backbone interact. energy: -0.897
local terms energy: -64.126980
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -112.360024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.360024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.360024 (E_RNA)
where:
Base-Base interactions energy: -45.300
where: short stacking energy: -41.133
Base-Backbone interact. energy: -0.401
local terms energy: -66.658924
where:
bonds (distance) C4'-P energy: -20.362
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -8.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -313.616135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.616135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.616135 (E_RNA)
where:
Base-Base interactions energy: -211.616
where: short stacking energy: -90.700
Base-Backbone interact. energy: -0.299
local terms energy: -101.700728
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -22.915
flat angles P-C4'-P energy: -8.760
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: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -285.623800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.623800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.623800 (E_RNA)
where:
Base-Base interactions energy: -182.883
where: short stacking energy: -88.504
Base-Backbone interact. energy: -0.040
local terms energy: -102.700561
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -18.163
tors. eta vs tors. theta energy: -26.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -282.125251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.125251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.125251 (E_RNA)
where:
Base-Base interactions energy: -175.293
where: short stacking energy: -80.843
Base-Backbone interact. energy: 0.152
local terms energy: -106.984132
where:
bonds (distance) C4'-P energy: -22.584
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -21.271
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -26.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -266.722901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.722901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.722901 (E_RNA)
where:
Base-Base interactions energy: -179.212
where: short stacking energy: -76.103
Base-Backbone interact. energy: -0.381
local terms energy: -87.129966
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -16.913
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: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -256.891423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.891423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.891423 (E_RNA)
where:
Base-Base interactions energy: -164.042
where: short stacking energy: -83.790
Base-Backbone interact. energy: -0.517
local terms energy: -92.333021
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -23.045
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -21.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -198.273584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.273584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.273584 (E_RNA)
where:
Base-Base interactions energy: -110.282
where: short stacking energy: -62.851
Base-Backbone interact. energy: -0.208
local terms energy: -87.783064
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -17.545
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: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -117.562738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.562738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.562738 (E_RNA)
where:
Base-Base interactions energy: -46.697
where: short stacking energy: -42.729
Base-Backbone interact. energy: 0.401
local terms energy: -71.267568
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -14.294
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: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -118.582269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.582269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.582269 (E_RNA)
where:
Base-Base interactions energy: -39.725
where: short stacking energy: -26.663
Base-Backbone interact. energy: -0.164
local terms energy: -78.693076
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -20.894
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -13.678
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: 9, replica: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -110.643736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.643736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.643736 (E_RNA)
where:
Base-Base interactions energy: -49.652
where: short stacking energy: -49.652
Base-Backbone interact. energy: -0.224
local terms energy: -60.767928
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -9.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -113.156756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.156756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.156756 (E_RNA)
where:
Base-Base interactions energy: -55.324
where: short stacking energy: -38.333
Base-Backbone interact. energy: -0.146
local terms energy: -57.685989
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -8.661
flat angles P-C4'-P energy: -11.045
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -311.051631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.051631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.051631 (E_RNA)
where:
Base-Base interactions energy: -207.268
where: short stacking energy: -96.108
Base-Backbone interact. energy: -0.379
local terms energy: -103.404476
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -20.826
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -24.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -292.515858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.515858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.515858 (E_RNA)
where:
Base-Base interactions energy: -189.476
where: short stacking energy: -90.902
Base-Backbone interact. energy: -0.453
local terms energy: -102.587058
where:
bonds (distance) C4'-P energy: -21.947
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -22.666
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -21.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -276.962588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.962588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.962588 (E_RNA)
where:
Base-Base interactions energy: -183.317
where: short stacking energy: -87.305
Base-Backbone interact. energy: -0.798
local terms energy: -92.848297
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -23.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -266.094455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.094455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.094455 (E_RNA)
where:
Base-Base interactions energy: -166.673
where: short stacking energy: -86.117
Base-Backbone interact. energy: -0.001
local terms energy: -99.420334
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -24.623
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: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -257.170404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.170404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.170404 (E_RNA)
where:
Base-Base interactions energy: -173.618
where: short stacking energy: -74.302
Base-Backbone interact. energy: -2.083
local terms energy: -81.469248
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -10.460
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -212.455902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.455902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.455902 (E_RNA)
where:
Base-Base interactions energy: -135.554
where: short stacking energy: -75.063
Base-Backbone interact. energy: 0.562
local terms energy: -77.463070
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -18.399
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: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -135.932783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.932783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.932783 (E_RNA)
where:
Base-Base interactions energy: -58.571
where: short stacking energy: -50.086
Base-Backbone interact. energy: -0.188
local terms energy: -77.173959
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -117.773207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.773207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.773207 (E_RNA)
where:
Base-Base interactions energy: -53.443
where: short stacking energy: -44.193
Base-Backbone interact. energy: 0.297
local terms energy: -64.627652
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -10.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -109.440838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.440838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.440838 (E_RNA)
where:
Base-Base interactions energy: -46.065
where: short stacking energy: -33.541
Base-Backbone interact. energy: 0.244
local terms energy: -63.619830
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -99.714178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.714178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.714178 (E_RNA)
where:
Base-Base interactions energy: -41.843
where: short stacking energy: -24.318
Base-Backbone interact. energy: -0.128
local terms energy: -57.743175
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: 3.048
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -300.784526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.784526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.784526 (E_RNA)
where:
Base-Base interactions energy: -199.524
where: short stacking energy: -96.438
Base-Backbone interact. energy: -0.351
local terms energy: -100.910005
where:
bonds (distance) C4'-P energy: -22.245
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -21.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -299.239263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.239263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.239263 (E_RNA)
where:
Base-Base interactions energy: -202.656
where: short stacking energy: -85.399
Base-Backbone interact. energy: -0.658
local terms energy: -95.925297
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: -25.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -289.683846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.683846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.683846 (E_RNA)
where:
Base-Base interactions energy: -189.961
where: short stacking energy: -92.137
Base-Backbone interact. energy: -0.871
local terms energy: -98.851859
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -26.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -264.958640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.958640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.958640 (E_RNA)
where:
Base-Base interactions energy: -172.955
where: short stacking energy: -83.378
Base-Backbone interact. energy: -0.014
local terms energy: -91.989536
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -24.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -202.653351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.653351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.653351 (E_RNA)
where:
Base-Base interactions energy: -113.763
where: short stacking energy: -67.452
Base-Backbone interact. energy: -0.015
local terms energy: -88.875354
where:
bonds (distance) C4'-P energy: -23.519
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -10.545
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: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -206.184217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.184217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.184217 (E_RNA)
where:
Base-Base interactions energy: -123.903
where: short stacking energy: -55.711
Base-Backbone interact. energy: -0.732
local terms energy: -81.548870
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -14.060
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: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -133.770448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.770448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.770448 (E_RNA)
where:
Base-Base interactions energy: -58.178
where: short stacking energy: -53.671
Base-Backbone interact. energy: -0.362
local terms energy: -75.230248
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -7.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -112.486357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.486357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.486357 (E_RNA)
where:
Base-Base interactions energy: -40.799
where: short stacking energy: -40.518
Base-Backbone interact. energy: -0.161
local terms energy: -71.526281
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -113.647258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.647258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.647258 (E_RNA)
where:
Base-Base interactions energy: -42.959
where: short stacking energy: -42.959
Base-Backbone interact. energy: -0.478
local terms energy: -70.211106
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -9.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -99.129752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.129752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.129752 (E_RNA)
where:
Base-Base interactions energy: -35.551
where: short stacking energy: -34.766
Base-Backbone interact. energy: -0.621
local terms energy: -62.957114
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -9.815
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -290.174144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.174144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.174144 (E_RNA)
where:
Base-Base interactions energy: -193.955
where: short stacking energy: -89.964
Base-Backbone interact. energy: -0.693
local terms energy: -95.526728
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -25.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -305.296812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.296812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.296812 (E_RNA)
where:
Base-Base interactions energy: -209.187
where: short stacking energy: -86.094
Base-Backbone interact. energy: -1.422
local terms energy: -94.687382
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -24.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -289.321219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.321219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.321219 (E_RNA)
where:
Base-Base interactions energy: -180.972
where: short stacking energy: -91.100
Base-Backbone interact. energy: -0.102
local terms energy: -108.246540
where:
bonds (distance) C4'-P energy: -20.912
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -22.498
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -27.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -272.701281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.701281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.701281 (E_RNA)
where:
Base-Base interactions energy: -176.633
where: short stacking energy: -91.976
Base-Backbone interact. energy: -0.031
local terms energy: -96.036693
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -23.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -214.173844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.173844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.173844 (E_RNA)
where:
Base-Base interactions energy: -125.444
where: short stacking energy: -61.284
Base-Backbone interact. energy: -0.186
local terms energy: -88.544534
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -203.221874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.221874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.221874 (E_RNA)
where:
Base-Base interactions energy: -123.420
where: short stacking energy: -64.645
Base-Backbone interact. energy: 2.673
local terms energy: -82.474540
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -14.657
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: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -117.076341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.076341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.076341 (E_RNA)
where:
Base-Base interactions energy: -40.473
where: short stacking energy: -35.298
Base-Backbone interact. energy: 0.108
local terms energy: -76.710676
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -5.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -107.608170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.608170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.608170 (E_RNA)
where:
Base-Base interactions energy: -52.882
where: short stacking energy: -37.806
Base-Backbone interact. energy: -0.130
local terms energy: -54.596477
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: 3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -112.496109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.496109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.496109 (E_RNA)
where:
Base-Base interactions energy: -51.401
where: short stacking energy: -48.471
Base-Backbone interact. energy: 4.246
local terms energy: -65.340752
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -10.633
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: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -102.302238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.302238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.302238 (E_RNA)
where:
Base-Base interactions energy: -33.294
where: short stacking energy: -29.967
Base-Backbone interact. energy: -0.069
local terms energy: -68.938417
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -0.192
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -302.227611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.227611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.227611 (E_RNA)
where:
Base-Base interactions energy: -201.256
where: short stacking energy: -88.872
Base-Backbone interact. energy: -1.160
local terms energy: -99.811603
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -23.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -293.284916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.284916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.284916 (E_RNA)
where:
Base-Base interactions energy: -188.090
where: short stacking energy: -90.268
Base-Backbone interact. energy: -0.270
local terms energy: -104.925054
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -25.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -276.558212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.558212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.558212 (E_RNA)
where:
Base-Base interactions energy: -177.561
where: short stacking energy: -87.352
Base-Backbone interact. energy: -0.002
local terms energy: -98.995292
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -26.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -284.933916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.933916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.933916 (E_RNA)
where:
Base-Base interactions energy: -192.706
where: short stacking energy: -89.504
Base-Backbone interact. energy: -0.744
local terms energy: -91.483991
where:
bonds (distance) C4'-P energy: -19.218
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -209.195126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.195126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.195126 (E_RNA)
where:
Base-Base interactions energy: -123.163
where: short stacking energy: -70.407
Base-Backbone interact. energy: -0.913
local terms energy: -85.119333
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -10.532
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: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -161.138392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.138392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.138392 (E_RNA)
where:
Base-Base interactions energy: -86.367
where: short stacking energy: -58.237
Base-Backbone interact. energy: -0.700
local terms energy: -74.071288
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -8.650
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: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -138.493849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.493849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.493849 (E_RNA)
where:
Base-Base interactions energy: -74.609
where: short stacking energy: -32.282
Base-Backbone interact. energy: 0.314
local terms energy: -64.198864
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -1.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -111.411391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.411391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.411391 (E_RNA)
where:
Base-Base interactions energy: -45.038
where: short stacking energy: -42.774
Base-Backbone interact. energy: 0.776
local terms energy: -67.149360
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -14.201
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: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -114.232820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.232820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.232820 (E_RNA)
where:
Base-Base interactions energy: -50.388
where: short stacking energy: -45.769
Base-Backbone interact. energy: -0.062
local terms energy: -63.783598
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -8.178
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: 10, replica: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -101.921899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.921899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.921899 (E_RNA)
where:
Base-Base interactions energy: -45.652
where: short stacking energy: -16.009
Base-Backbone interact. energy: 1.000
local terms energy: -57.270176
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: 9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -308.716049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.716049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.716049 (E_RNA)
where:
Base-Base interactions energy: -206.329
where: short stacking energy: -91.757
Base-Backbone interact. energy: -0.589
local terms energy: -101.798108
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -23.370
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -21.808
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: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -286.490385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.490385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.490385 (E_RNA)
where:
Base-Base interactions energy: -189.222
where: short stacking energy: -85.843
Base-Backbone interact. energy: -0.133
local terms energy: -97.135220
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -19.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -261.692315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.692315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.692315 (E_RNA)
where:
Base-Base interactions energy: -172.079
where: short stacking energy: -82.236
Base-Backbone interact. energy: -0.299
local terms energy: -89.313510
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -276.511379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.511379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.511379 (E_RNA)
where:
Base-Base interactions energy: -176.927
where: short stacking energy: -82.459
Base-Backbone interact. energy: -0.831
local terms energy: -98.753706
where:
bonds (distance) C4'-P energy: -22.832
bonds (distance) P-C4' energy: -18.997
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -23.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -210.042904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.042904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.042904 (E_RNA)
where:
Base-Base interactions energy: -128.673
where: short stacking energy: -72.765
Base-Backbone interact. energy: -0.175
local terms energy: -81.195024
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -9.797
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: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -172.913178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.913178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.913178 (E_RNA)
where:
Base-Base interactions energy: -96.701
where: short stacking energy: -39.672
Base-Backbone interact. energy: -0.135
local terms energy: -76.076913
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -24.499
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -199.585858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.585858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.585858 (E_RNA)
where:
Base-Base interactions energy: -126.713
where: short stacking energy: -60.832
Base-Backbone interact. energy: 1.030
local terms energy: -73.903196
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -113.824653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.824653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.824653 (E_RNA)
where:
Base-Base interactions energy: -37.708
where: short stacking energy: -30.972
Base-Backbone interact. energy: 0.070
local terms energy: -76.186146
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -96.957107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.957107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.957107 (E_RNA)
where:
Base-Base interactions energy: -36.687
where: short stacking energy: -28.012
Base-Backbone interact. energy: -0.367
local terms energy: -59.903313
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -21.920
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: 1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -122.057112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.057112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.057112 (E_RNA)
where:
Base-Base interactions energy: -56.567
where: short stacking energy: -29.033
Base-Backbone interact. energy: 0.452
local terms energy: -65.941874
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: 2.011
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -308.061486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.061486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.061486 (E_RNA)
where:
Base-Base interactions energy: -207.121
where: short stacking energy: -91.233
Base-Backbone interact. energy: -0.452
local terms energy: -100.488195
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -23.238
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -24.152
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: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -280.295058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.295058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.295058 (E_RNA)
where:
Base-Base interactions energy: -184.086
where: short stacking energy: -97.498
Base-Backbone interact. energy: 0.593
local terms energy: -96.802718
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -14.468
tors. eta vs tors. theta energy: -24.811
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: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -289.499387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.499387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.499387 (E_RNA)
where:
Base-Base interactions energy: -186.876
where: short stacking energy: -94.976
Base-Backbone interact. energy: -0.052
local terms energy: -102.571252
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -29.370
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: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -280.798345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.798345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.798345 (E_RNA)
where:
Base-Base interactions energy: -183.541
where: short stacking energy: -89.739
Base-Backbone interact. energy: 0.880
local terms energy: -98.136764
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -23.115
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -24.479
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: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -215.837184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.837184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.837184 (E_RNA)
where:
Base-Base interactions energy: -143.995
where: short stacking energy: -67.165
Base-Backbone interact. energy: -0.183
local terms energy: -71.658539
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -14.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -200.551641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.551641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.551641 (E_RNA)
where:
Base-Base interactions energy: -117.416
where: short stacking energy: -74.520
Base-Backbone interact. energy: -0.562
local terms energy: -82.572764
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -127.793850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.793850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.793850 (E_RNA)
where:
Base-Base interactions energy: -48.961
where: short stacking energy: -44.320
Base-Backbone interact. energy: -0.020
local terms energy: -78.813323
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -5.842
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: 2
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -188.898624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.898624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.898624 (E_RNA)
where:
Base-Base interactions energy: -115.970
where: short stacking energy: -65.750
Base-Backbone interact. energy: -0.285
local terms energy: -72.643746
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -12.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -110.990553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.990553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.990553 (E_RNA)
where:
Base-Base interactions energy: -47.332
where: short stacking energy: -20.959
Base-Backbone interact. energy: 0.415
local terms energy: -64.073510
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: 1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -110.667951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.667951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.667951 (E_RNA)
where:
Base-Base interactions energy: -44.495
where: short stacking energy: -28.046
Base-Backbone interact. energy: -0.108
local terms energy: -66.065632
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -3.163
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -302.423862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.423862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.423862 (E_RNA)
where:
Base-Base interactions energy: -205.287
where: short stacking energy: -80.094
Base-Backbone interact. energy: -0.823
local terms energy: -96.314202
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -21.173
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -23.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -295.639388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.639388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.639388 (E_RNA)
where:
Base-Base interactions energy: -191.583
where: short stacking energy: -97.721
Base-Backbone interact. energy: -0.462
local terms energy: -103.594451
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: -27.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -271.207238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.207238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.207238 (E_RNA)
where:
Base-Base interactions energy: -181.129
where: short stacking energy: -87.644
Base-Backbone interact. energy: -0.049
local terms energy: -90.029087
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -21.585
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -19.981
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: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -280.786619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.786619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.786619 (E_RNA)
where:
Base-Base interactions energy: -183.239
where: short stacking energy: -83.141
Base-Backbone interact. energy: -0.065
local terms energy: -97.483028
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -24.082
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -25.068
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: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -227.924551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.924551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.924551 (E_RNA)
where:
Base-Base interactions energy: -143.046
where: short stacking energy: -80.757
Base-Backbone interact. energy: -0.719
local terms energy: -84.159662
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -20.552
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: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -193.426404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.426404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.426404 (E_RNA)
where:
Base-Base interactions energy: -101.104
where: short stacking energy: -69.973
Base-Backbone interact. energy: -1.155
local terms energy: -91.167620
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -23.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -125.776226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.776226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.776226 (E_RNA)
where:
Base-Base interactions energy: -61.139
where: short stacking energy: -46.510
Base-Backbone interact. energy: -1.345
local terms energy: -63.292037
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -4.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -174.003885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.003885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.003885 (E_RNA)
where:
Base-Base interactions energy: -92.413
where: short stacking energy: -48.748
Base-Backbone interact. energy: -0.357
local terms energy: -81.233307
where:
bonds (distance) C4'-P energy: -21.818
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -8.591
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: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -102.564710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.564710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.564710 (E_RNA)
where:
Base-Base interactions energy: -45.492
where: short stacking energy: -29.292
Base-Backbone interact. energy: 0.148
local terms energy: -57.220320
where:
bonds (distance) C4'-P energy: -19.670
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: 4.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -100.380866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.380866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.380866 (E_RNA)
where:
Base-Base interactions energy: -34.669
where: short stacking energy: -35.869
Base-Backbone interact. energy: -0.107
local terms energy: -65.604502
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -308.649811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.649811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.649811 (E_RNA)
where:
Base-Base interactions energy: -207.363
where: short stacking energy: -88.118
Base-Backbone interact. energy: -2.630
local terms energy: -98.656782
where:
bonds (distance) C4'-P energy: -22.344
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -27.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -290.482563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.482563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.482563 (E_RNA)
where:
Base-Base interactions energy: -194.354
where: short stacking energy: -98.680
Base-Backbone interact. energy: -0.795
local terms energy: -95.333682
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -22.100
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -25.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -276.123412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.123412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.123412 (E_RNA)
where:
Base-Base interactions energy: -185.207
where: short stacking energy: -89.038
Base-Backbone interact. energy: 0.312
local terms energy: -91.228035
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -21.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -276.652894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.652894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.652894 (E_RNA)
where:
Base-Base interactions energy: -180.187
where: short stacking energy: -90.416
Base-Backbone interact. energy: -0.608
local terms energy: -95.857384
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -27.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -242.320188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.320188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.320188 (E_RNA)
where:
Base-Base interactions energy: -151.700
where: short stacking energy: -76.714
Base-Backbone interact. energy: 0.261
local terms energy: -90.880900
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -175.686977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.686977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.686977 (E_RNA)
where:
Base-Base interactions energy: -98.976
where: short stacking energy: -50.522
Base-Backbone interact. energy: 1.532
local terms energy: -78.243193
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -22.368
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -15.415
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: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -129.130029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.130029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.130029 (E_RNA)
where:
Base-Base interactions energy: -53.822
where: short stacking energy: -30.419
Base-Backbone interact. energy: -0.434
local terms energy: -74.874089
where:
bonds (distance) C4'-P energy: -21.917
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -122.800379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.800379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.800379 (E_RNA)
where:
Base-Base interactions energy: -53.437
where: short stacking energy: -37.446
Base-Backbone interact. energy: -0.184
local terms energy: -69.179658
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -7.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -109.784566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.784566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.784566 (E_RNA)
where:
Base-Base interactions energy: -41.928
where: short stacking energy: -41.928
Base-Backbone interact. energy: -0.180
local terms energy: -67.676457
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -9.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -90.160420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.160420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.160420 (E_RNA)
where:
Base-Base interactions energy: -30.182
where: short stacking energy: -28.958
Base-Backbone interact. energy: 1.496
local terms energy: -61.475170
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: 5.181
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -310.730444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.730444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.730444 (E_RNA)
where:
Base-Base interactions energy: -209.630
where: short stacking energy: -87.636
Base-Backbone interact. energy: -1.446
local terms energy: -99.654711
where:
bonds (distance) C4'-P energy: -20.883
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -23.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -294.277617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.277617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.277617 (E_RNA)
where:
Base-Base interactions energy: -186.337
where: short stacking energy: -90.393
Base-Backbone interact. energy: -0.273
local terms energy: -107.667152
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -22.733
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -28.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -271.033111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.033111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.033111 (E_RNA)
where:
Base-Base interactions energy: -175.526
where: short stacking energy: -90.052
Base-Backbone interact. energy: -1.884
local terms energy: -93.622738
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -22.841
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: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -266.436190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.436190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.436190 (E_RNA)
where:
Base-Base interactions energy: -177.998
where: short stacking energy: -85.981
Base-Backbone interact. energy: -0.235
local terms energy: -88.202895
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -21.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -232.286351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.286351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.286351 (E_RNA)
where:
Base-Base interactions energy: -149.726
where: short stacking energy: -75.043
Base-Backbone interact. energy: -0.574
local terms energy: -81.986513
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -10.166
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: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -144.555348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.555348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.555348 (E_RNA)
where:
Base-Base interactions energy: -71.619
where: short stacking energy: -61.034
Base-Backbone interact. energy: -0.796
local terms energy: -72.140603
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -11.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -189.450289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.450289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.450289 (E_RNA)
where:
Base-Base interactions energy: -104.290
where: short stacking energy: -73.362
Base-Backbone interact. energy: -0.014
local terms energy: -85.146498
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -10.582
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: 8, replica: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -124.924432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.924432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.924432 (E_RNA)
where:
Base-Base interactions energy: -50.847
where: short stacking energy: -40.139
Base-Backbone interact. energy: -0.007
local terms energy: -74.070410
where:
bonds (distance) C4'-P energy: -20.526
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -106.216259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.216259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.216259 (E_RNA)
where:
Base-Base interactions energy: -43.558
where: short stacking energy: -39.368
Base-Backbone interact. energy: -0.014
local terms energy: -62.644303
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -105.087880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.087880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.087880 (E_RNA)
where:
Base-Base interactions energy: -41.441
where: short stacking energy: -25.649
Base-Backbone interact. energy: 0.380
local terms energy: -64.027465
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -319.712784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.712784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.712784 (E_RNA)
where:
Base-Base interactions energy: -219.738
where: short stacking energy: -92.201
Base-Backbone interact. energy: -0.834
local terms energy: -99.140110
where:
bonds (distance) C4'-P energy: -19.049
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -23.669
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -25.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -295.234142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.234142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.234142 (E_RNA)
where:
Base-Base interactions energy: -192.967
where: short stacking energy: -96.649
Base-Backbone interact. energy: -0.286
local terms energy: -101.981694
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -18.046
tors. eta vs tors. theta energy: -24.877
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: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -272.679653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.679653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.679653 (E_RNA)
where:
Base-Base interactions energy: -184.425
where: short stacking energy: -92.057
Base-Backbone interact. energy: 1.791
local terms energy: -90.045979
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -21.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -256.650767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.650767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.650767 (E_RNA)
where:
Base-Base interactions energy: -169.871
where: short stacking energy: -81.556
Base-Backbone interact. energy: -0.666
local terms energy: -86.113249
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -11.755
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: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -229.672517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.672517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.672517 (E_RNA)
where:
Base-Base interactions energy: -138.924
where: short stacking energy: -62.204
Base-Backbone interact. energy: -1.507
local terms energy: -89.241213
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -15.456
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: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -144.265492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.265492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.265492 (E_RNA)
where:
Base-Base interactions energy: -73.502
where: short stacking energy: -64.805
Base-Backbone interact. energy: -0.967
local terms energy: -69.797333
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -9.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -174.308000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.308000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.308000 (E_RNA)
where:
Base-Base interactions energy: -100.122
where: short stacking energy: -60.756
Base-Backbone interact. energy: -0.239
local terms energy: -73.946738
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -10.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -115.698574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.698574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.698574 (E_RNA)
where:
Base-Base interactions energy: -44.093
where: short stacking energy: -39.002
Base-Backbone interact. energy: -1.329
local terms energy: -70.276172
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -103.909287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.909287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.909287 (E_RNA)
where:
Base-Base interactions energy: -45.374
where: short stacking energy: -37.447
Base-Backbone interact. energy: -0.812
local terms energy: -57.723245
where:
bonds (distance) C4'-P energy: -7.810
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: 0.656
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: 298
Temperature: 1.350000
Total energy: -101.631597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.631597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.631597 (E_RNA)
where:
Base-Base interactions energy: -36.261
where: short stacking energy: -30.584
Base-Backbone interact. energy: -0.195
local terms energy: -65.175737
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: 1.669
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -309.787723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.787723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.787723 (E_RNA)
where:
Base-Base interactions energy: -207.464
where: short stacking energy: -83.043
Base-Backbone interact. energy: -2.679
local terms energy: -99.644436
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -25.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -287.032343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.032343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.032343 (E_RNA)
where:
Base-Base interactions energy: -183.239
where: short stacking energy: -94.280
Base-Backbone interact. energy: 0.360
local terms energy: -104.153293
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -26.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -274.210685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.210685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.210685 (E_RNA)
where:
Base-Base interactions energy: -186.671
where: short stacking energy: -87.261
Base-Backbone interact. energy: -0.012
local terms energy: -87.526988
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -20.457
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -19.442
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: 299
Temperature: 1.050000
Total energy: -254.531131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.531131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.531131 (E_RNA)
where:
Base-Base interactions energy: -162.798
where: short stacking energy: -65.827
Base-Backbone interact. energy: -1.342
local terms energy: -90.391714
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -19.677
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -16.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -240.753856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.753856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.753856 (E_RNA)
where:
Base-Base interactions energy: -154.856
where: short stacking energy: -72.601
Base-Backbone interact. energy: -0.309
local terms energy: -85.588948
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -16.025
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: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -177.227274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.227274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.227274 (E_RNA)
where:
Base-Base interactions energy: -94.176
where: short stacking energy: -52.338
Base-Backbone interact. energy: -0.077
local terms energy: -82.973968
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -12.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -130.426767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.426767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.426767 (E_RNA)
where:
Base-Base interactions energy: -54.588
where: short stacking energy: -52.918
Base-Backbone interact. energy: -0.955
local terms energy: -74.883553
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -107.163119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.163119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.163119 (E_RNA)
where:
Base-Base interactions energy: -44.240
where: short stacking energy: -40.776
Base-Backbone interact. energy: -0.501
local terms energy: -62.421814
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -13.678
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: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -103.302212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.302212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.302212 (E_RNA)
where:
Base-Base interactions energy: -42.162
where: short stacking energy: -33.721
Base-Backbone interact. energy: -0.174
local terms energy: -60.965608
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -22.760
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -1.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -104.893887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.893887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.893887 (E_RNA)
where:
Base-Base interactions energy: -43.687
where: short stacking energy: -37.619
Base-Backbone interact. energy: 1.160
local terms energy: -62.366878
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -22.135
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: 1.250
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -300.485022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.485022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.485022 (E_RNA)
where:
Base-Base interactions energy: -196.773
where: short stacking energy: -94.195
Base-Backbone interact. energy: -0.466
local terms energy: -103.246467
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -26.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -308.679043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.679043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.679043 (E_RNA)
where:
Base-Base interactions energy: -198.588
where: short stacking energy: -85.816
Base-Backbone interact. energy: -0.653
local terms energy: -109.438198
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -26.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -286.723617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.723617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.723617 (E_RNA)
where:
Base-Base interactions energy: -185.360
where: short stacking energy: -92.675
Base-Backbone interact. energy: -0.659
local terms energy: -100.704110
where:
bonds (distance) C4'-P energy: -20.489
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -26.041
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: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -251.961550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.961550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.961550 (E_RNA)
where:
Base-Base interactions energy: -161.880
where: short stacking energy: -90.263
Base-Backbone interact. energy: 2.798
local terms energy: -92.879479
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -22.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -260.894954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.894954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.894954 (E_RNA)
where:
Base-Base interactions energy: -176.192
where: short stacking energy: -82.591
Base-Backbone interact. energy: -0.077
local terms energy: -84.625961
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -17.809
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: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -177.546867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.546867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.546867 (E_RNA)
where:
Base-Base interactions energy: -101.812
where: short stacking energy: -59.107
Base-Backbone interact. energy: 0.102
local terms energy: -75.836870
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -6.680
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: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -120.764496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.764496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.764496 (E_RNA)
where:
Base-Base interactions energy: -38.396
where: short stacking energy: -37.886
Base-Backbone interact. energy: -0.745
local terms energy: -81.623091
where:
bonds (distance) C4'-P energy: -23.478
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -9.403
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: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -117.901624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.901624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.901624 (E_RNA)
where:
Base-Base interactions energy: -48.207
where: short stacking energy: -28.595
Base-Backbone interact. energy: -0.855
local terms energy: -68.840088
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -108.279864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.279864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.279864 (E_RNA)
where:
Base-Base interactions energy: -44.043
where: short stacking energy: -41.373
Base-Backbone interact. energy: -0.176
local terms energy: -64.060701
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -4.122
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: 10, replica: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -106.046404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.046404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.046404 (E_RNA)
where:
Base-Base interactions energy: -42.093
where: short stacking energy: -39.739
Base-Backbone interact. energy: -0.127
local terms energy: -63.825943
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -4.502
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -297.050845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.050845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.050845 (E_RNA)
where:
Base-Base interactions energy: -195.944
where: short stacking energy: -89.758
Base-Backbone interact. energy: 0.219
local terms energy: -101.325673
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -23.443
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: 5
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -304.314812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.314812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.314812 (E_RNA)
where:
Base-Base interactions energy: -214.991
where: short stacking energy: -90.022
Base-Backbone interact. energy: -0.520
local terms energy: -88.803843
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -24.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -291.170934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.170934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.170934 (E_RNA)
where:
Base-Base interactions energy: -187.815
where: short stacking energy: -88.644
Base-Backbone interact. energy: -0.139
local terms energy: -103.217575
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -23.591
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: 301
Temperature: 1.050000
Total energy: -261.105920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.105920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.105920 (E_RNA)
where:
Base-Base interactions energy: -172.807
where: short stacking energy: -70.298
Base-Backbone interact. energy: -1.362
local terms energy: -86.937463
where:
bonds (distance) C4'-P energy: -22.237
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -14.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -241.975285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.975285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.975285 (E_RNA)
where:
Base-Base interactions energy: -151.810
where: short stacking energy: -82.640
Base-Backbone interact. energy: -0.143
local terms energy: -90.021819
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -22.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -174.034414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.034414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.034414 (E_RNA)
where:
Base-Base interactions energy: -93.417
where: short stacking energy: -52.268
Base-Backbone interact. energy: -0.577
local terms energy: -80.040586
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -10.133
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: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -136.492569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.492569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.492569 (E_RNA)
where:
Base-Base interactions energy: -61.808
where: short stacking energy: -61.808
Base-Backbone interact. energy: -0.133
local terms energy: -74.550941
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -13.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -123.383616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.383616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.383616 (E_RNA)
where:
Base-Base interactions energy: -53.051
where: short stacking energy: -47.379
Base-Backbone interact. energy: 0.946
local terms energy: -71.278342
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -111.654210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.654210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.654210 (E_RNA)
where:
Base-Base interactions energy: -56.612
where: short stacking energy: -35.028
Base-Backbone interact. energy: -1.622
local terms energy: -53.419682
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: 1.533
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: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -116.105590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.105590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.105590 (E_RNA)
where:
Base-Base interactions energy: -46.783
where: short stacking energy: -46.783
Base-Backbone interact. energy: -0.106
local terms energy: -69.216668
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -6.250
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -314.217013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.217013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.217013 (E_RNA)
where:
Base-Base interactions energy: -209.455
where: short stacking energy: -90.408
Base-Backbone interact. energy: -0.462
local terms energy: -104.300074
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -22.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -294.029080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.029080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.029080 (E_RNA)
where:
Base-Base interactions energy: -190.273
where: short stacking energy: -94.601
Base-Backbone interact. energy: -0.064
local terms energy: -103.692636
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -21.311
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -27.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -285.085910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.085910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.085910 (E_RNA)
where:
Base-Base interactions energy: -182.982
where: short stacking energy: -90.273
Base-Backbone interact. energy: -1.200
local terms energy: -100.903797
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -21.702
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -26.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -260.710747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.710747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.710747 (E_RNA)
where:
Base-Base interactions energy: -164.589
where: short stacking energy: -83.621
Base-Backbone interact. energy: -0.102
local terms energy: -96.019440
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -20.792
flat angles P-C4'-P energy: -13.708
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: 5, replica: 7
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -196.008516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.008516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.008516 (E_RNA)
where:
Base-Base interactions energy: -113.851
where: short stacking energy: -70.257
Base-Backbone interact. energy: -0.070
local terms energy: -82.087498
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -14.905
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: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -226.079614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.079614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.079614 (E_RNA)
where:
Base-Base interactions energy: -131.996
where: short stacking energy: -66.621
Base-Backbone interact. energy: -0.783
local terms energy: -93.300697
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -16.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -126.734579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.734579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.734579 (E_RNA)
where:
Base-Base interactions energy: -56.424
where: short stacking energy: -47.329
Base-Backbone interact. energy: 0.515
local terms energy: -70.825495
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -5.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -138.519575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.519575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.519575 (E_RNA)
where:
Base-Base interactions energy: -67.457
where: short stacking energy: -43.418
Base-Backbone interact. energy: 0.324
local terms energy: -71.386180
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -9.416
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -114.252230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.252230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.252230 (E_RNA)
where:
Base-Base interactions energy: -42.069
where: short stacking energy: -40.611
Base-Backbone interact. energy: -0.440
local terms energy: -71.742782
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -0.594
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: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -102.861349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.861349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.861349 (E_RNA)
where:
Base-Base interactions energy: -30.903
where: short stacking energy: -24.393
Base-Backbone interact. energy: -0.268
local terms energy: -71.690114
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: 0.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -316.942944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.942944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.942944 (E_RNA)
where:
Base-Base interactions energy: -217.124
where: short stacking energy: -99.439
Base-Backbone interact. energy: -0.340
local terms energy: -99.479470
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -22.797
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -23.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -294.636607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.636607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.636607 (E_RNA)
where:
Base-Base interactions energy: -194.678
where: short stacking energy: -83.759
Base-Backbone interact. energy: -0.414
local terms energy: -99.544155
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -19.244
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: 6
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -282.449042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.449042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.449042 (E_RNA)
where:
Base-Base interactions energy: -190.281
where: short stacking energy: -91.443
Base-Backbone interact. energy: -0.634
local terms energy: -91.533707
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -21.920
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: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -255.353250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.353250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.353250 (E_RNA)
where:
Base-Base interactions energy: -166.438
where: short stacking energy: -68.030
Base-Backbone interact. energy: -0.886
local terms energy: -88.030083
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -17.943
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: 7
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -204.956635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.956635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.956635 (E_RNA)
where:
Base-Base interactions energy: -119.448
where: short stacking energy: -70.191
Base-Backbone interact. energy: -0.013
local terms energy: -85.495429
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -20.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -219.629234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.629234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.629234 (E_RNA)
where:
Base-Base interactions energy: -135.462
where: short stacking energy: -66.517
Base-Backbone interact. energy: -0.111
local terms energy: -84.055878
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -19.680
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -122.817957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.817957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.817957 (E_RNA)
where:
Base-Base interactions energy: -48.332
where: short stacking energy: -40.880
Base-Backbone interact. energy: -0.208
local terms energy: -74.278377
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -4.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -137.331351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.331351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.331351 (E_RNA)
where:
Base-Base interactions energy: -71.598
where: short stacking energy: -45.508
Base-Backbone interact. energy: -0.219
local terms energy: -65.513921
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -24.502
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -97.138551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.138551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.138551 (E_RNA)
where:
Base-Base interactions energy: -39.888
where: short stacking energy: -30.021
Base-Backbone interact. energy: -0.424
local terms energy: -56.826666
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -97.124118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.124118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.124118 (E_RNA)
where:
Base-Base interactions energy: -39.441
where: short stacking energy: -32.716
Base-Backbone interact. energy: -1.526
local terms energy: -56.157514
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: 0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -303.958342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.958342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.958342 (E_RNA)
where:
Base-Base interactions energy: -201.174
where: short stacking energy: -94.349
Base-Backbone interact. energy: -0.823
local terms energy: -101.961412
where:
bonds (distance) C4'-P energy: -19.159
bonds (distance) P-C4' energy: -21.888
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -23.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -311.179184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.179184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.179184 (E_RNA)
where:
Base-Base interactions energy: -207.950
where: short stacking energy: -87.118
Base-Backbone interact. energy: -1.489
local terms energy: -101.739969
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -25.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -290.484649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.484649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.484649 (E_RNA)
where:
Base-Base interactions energy: -185.542
where: short stacking energy: -96.794
Base-Backbone interact. energy: 0.097
local terms energy: -105.039761
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -25.919
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: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -261.696060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.696060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.696060 (E_RNA)
where:
Base-Base interactions energy: -172.539
where: short stacking energy: -81.779
Base-Backbone interact. energy: -0.633
local terms energy: -88.524501
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -22.552
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -219.895550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.895550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.895550 (E_RNA)
where:
Base-Base interactions energy: -132.624
where: short stacking energy: -62.303
Base-Backbone interact. energy: -0.082
local terms energy: -87.189177
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -193.496485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.496485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.496485 (E_RNA)
where:
Base-Base interactions energy: -120.861
where: short stacking energy: -56.044
Base-Backbone interact. energy: -0.505
local terms energy: -72.131216
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -13.237
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: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -162.165257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.165257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.165257 (E_RNA)
where:
Base-Base interactions energy: -86.271
where: short stacking energy: -56.391
Base-Backbone interact. energy: 0.460
local terms energy: -76.354087
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -16.687
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: 8, replica: 2
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -117.333815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.333815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.333815 (E_RNA)
where:
Base-Base interactions energy: -44.576
where: short stacking energy: -42.049
Base-Backbone interact. energy: -0.170
local terms energy: -72.587326
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -9.188
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: 9, replica: 1
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -111.270873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.270873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.270873 (E_RNA)
where:
Base-Base interactions energy: -41.853
where: short stacking energy: -40.051
Base-Backbone interact. energy: -0.391
local terms energy: -69.026561
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -22.211
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -4.115
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -99.314879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.314879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.314879 (E_RNA)
where:
Base-Base interactions energy: -43.375
where: short stacking energy: -29.388
Base-Backbone interact. energy: -0.393
local terms energy: -55.547013
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -19.445
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: 3.507
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -302.172865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.172865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.172865 (E_RNA)
where:
Base-Base interactions energy: -200.345
where: short stacking energy: -98.827
Base-Backbone interact. energy: -0.087
local terms energy: -101.741218
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -20.371
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -31.375
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: 6
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -296.023601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.023601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.023601 (E_RNA)
where:
Base-Base interactions energy: -192.959
where: short stacking energy: -89.688
Base-Backbone interact. energy: -0.661
local terms energy: -102.403868
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -28.686
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: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -303.381791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.381791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.381791 (E_RNA)
where:
Base-Base interactions energy: -197.167
where: short stacking energy: -91.937
Base-Backbone interact. energy: -0.709
local terms energy: -105.506128
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -21.603
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -27.025
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: 305
Temperature: 1.050000
Total energy: -269.109406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.109406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.109406 (E_RNA)
where:
Base-Base interactions energy: -179.690
where: short stacking energy: -90.094
Base-Backbone interact. energy: -0.311
local terms energy: -89.108380
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -27.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -215.590007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.590007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.590007 (E_RNA)
where:
Base-Base interactions energy: -138.264
where: short stacking energy: -62.314
Base-Backbone interact. energy: -0.648
local terms energy: -76.678897
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -19.330
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: -17.099
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: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -185.648412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.648412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.648412 (E_RNA)
where:
Base-Base interactions energy: -105.003
where: short stacking energy: -65.517
Base-Backbone interact. energy: -0.250
local terms energy: -80.395055
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -17.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -164.463234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.463234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.463234 (E_RNA)
where:
Base-Base interactions energy: -93.295
where: short stacking energy: -63.486
Base-Backbone interact. energy: -0.078
local terms energy: -71.090408
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -10.634
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: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -110.764733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.764733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.764733 (E_RNA)
where:
Base-Base interactions energy: -47.153
where: short stacking energy: -47.153
Base-Backbone interact. energy: 1.243
local terms energy: -64.854408
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -10.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -110.065170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.065170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.065170 (E_RNA)
where:
Base-Base interactions energy: -46.217
where: short stacking energy: -32.972
Base-Backbone interact. energy: 1.817
local terms energy: -65.665102
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -3.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -104.303134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.303134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.303134 (E_RNA)
where:
Base-Base interactions energy: -36.944
where: short stacking energy: -33.076
Base-Backbone interact. energy: -0.620
local terms energy: -66.739609
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -313.722008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.722008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.722008 (E_RNA)
where:
Base-Base interactions energy: -205.189
where: short stacking energy: -91.776
Base-Backbone interact. energy: -0.818
local terms energy: -107.715193
where:
bonds (distance) C4'-P energy: -23.027
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -21.175
flat angles P-C4'-P energy: -17.871
tors. eta vs tors. theta energy: -26.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -296.311090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.311090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.311090 (E_RNA)
where:
Base-Base interactions energy: -182.645
where: short stacking energy: -94.000
Base-Backbone interact. energy: -0.799
local terms energy: -112.866884
where:
bonds (distance) C4'-P energy: -23.569
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -23.481
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -30.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -286.385780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.385780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.385780 (E_RNA)
where:
Base-Base interactions energy: -186.993
where: short stacking energy: -79.584
Base-Backbone interact. energy: -0.651
local terms energy: -98.741660
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -25.138
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: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -277.889733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.889733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.889733 (E_RNA)
where:
Base-Base interactions energy: -182.081
where: short stacking energy: -73.814
Base-Backbone interact. energy: -3.787
local terms energy: -92.021729
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -238.438068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.438068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.438068 (E_RNA)
where:
Base-Base interactions energy: -134.866
where: short stacking energy: -68.970
Base-Backbone interact. energy: -1.434
local terms energy: -102.138199
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -22.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -170.961536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.961536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.961536 (E_RNA)
where:
Base-Base interactions energy: -93.998
where: short stacking energy: -59.801
Base-Backbone interact. energy: -0.755
local terms energy: -76.208758
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -22.524
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -11.199
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: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -130.172702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.172702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.172702 (E_RNA)
where:
Base-Base interactions energy: -56.865
where: short stacking energy: -30.231
Base-Backbone interact. energy: -0.177
local terms energy: -73.130759
where:
bonds (distance) C4'-P energy: -24.207
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -103.213115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.213115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.213115 (E_RNA)
where:
Base-Base interactions energy: -34.784
where: short stacking energy: -34.498
Base-Backbone interact. energy: -0.179
local terms energy: -68.250225
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -10.201
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: 9, replica: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -110.512531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.512531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.512531 (E_RNA)
where:
Base-Base interactions energy: -37.953
where: short stacking energy: -37.953
Base-Backbone interact. energy: -0.275
local terms energy: -72.285181
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -2.073
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: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -105.974604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.974604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.974604 (E_RNA)
where:
Base-Base interactions energy: -43.575
where: short stacking energy: -41.848
Base-Backbone interact. energy: -0.037
local terms energy: -62.362717
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -11.572
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -303.603495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.603495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.603495 (E_RNA)
where:
Base-Base interactions energy: -203.963
where: short stacking energy: -94.162
Base-Backbone interact. energy: -1.988
local terms energy: -97.652337
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -23.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -292.492027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.492027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.492027 (E_RNA)
where:
Base-Base interactions energy: -192.577
where: short stacking energy: -84.005
Base-Backbone interact. energy: -0.192
local terms energy: -99.722528
where:
bonds (distance) C4'-P energy: -18.106
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -25.317
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -20.894
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: 3, replica: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -295.633734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.633734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.633734 (E_RNA)
where:
Base-Base interactions energy: -186.365
where: short stacking energy: -98.078
Base-Backbone interact. energy: -0.217
local terms energy: -109.051706
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -24.343
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -29.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -244.830360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.830360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.830360 (E_RNA)
where:
Base-Base interactions energy: -157.625
where: short stacking energy: -75.368
Base-Backbone interact. energy: -0.718
local terms energy: -86.487739
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -20.479
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -17.463
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: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -259.316058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.316058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.316058 (E_RNA)
where:
Base-Base interactions energy: -165.253
where: short stacking energy: -75.091
Base-Backbone interact. energy: -0.598
local terms energy: -93.464951
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -20.912
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: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -172.417298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.417298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.417298 (E_RNA)
where:
Base-Base interactions energy: -98.973
where: short stacking energy: -70.521
Base-Backbone interact. energy: -0.010
local terms energy: -73.434513
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -12.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -123.753031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.753031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.753031 (E_RNA)
where:
Base-Base interactions energy: -50.811
where: short stacking energy: -44.389
Base-Backbone interact. energy: 3.180
local terms energy: -76.122331
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -134.164468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.164468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.164468 (E_RNA)
where:
Base-Base interactions energy: -56.738
where: short stacking energy: -43.429
Base-Backbone interact. energy: -0.262
local terms energy: -77.164893
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -105.226340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.226340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.226340 (E_RNA)
where:
Base-Base interactions energy: -54.234
where: short stacking energy: -28.817
Base-Backbone interact. energy: -0.263
local terms energy: -50.729605
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -1.578
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: 4
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -102.407213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.407213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.407213 (E_RNA)
where:
Base-Base interactions energy: -40.134
where: short stacking energy: -32.906
Base-Backbone interact. energy: -0.545
local terms energy: -61.728407
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -7.386
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -307.700238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.700238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.700238 (E_RNA)
where:
Base-Base interactions energy: -199.820
where: short stacking energy: -96.010
Base-Backbone interact. energy: -0.643
local terms energy: -107.236800
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -28.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -294.503002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.503002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.503002 (E_RNA)
where:
Base-Base interactions energy: -187.109
where: short stacking energy: -86.655
Base-Backbone interact. energy: -0.143
local terms energy: -107.251417
where:
bonds (distance) C4'-P energy: -21.581
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -26.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -288.092858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.092858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.092858 (E_RNA)
where:
Base-Base interactions energy: -191.782
where: short stacking energy: -94.812
Base-Backbone interact. energy: -0.130
local terms energy: -96.180753
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -28.277
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: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -236.295705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.295705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.295705 (E_RNA)
where:
Base-Base interactions energy: -147.545
where: short stacking energy: -78.089
Base-Backbone interact. energy: 0.885
local terms energy: -89.636276
where:
bonds (distance) C4'-P energy: -20.695
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -22.937
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: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -274.727086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.727086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.727086 (E_RNA)
where:
Base-Base interactions energy: -175.551
where: short stacking energy: -76.776
Base-Backbone interact. energy: -0.181
local terms energy: -98.994446
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -17.803
tors. eta vs tors. theta energy: -22.891
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: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -174.235755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.235755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.235755 (E_RNA)
where:
Base-Base interactions energy: -90.924
where: short stacking energy: -61.961
Base-Backbone interact. energy: -1.023
local terms energy: -82.288608
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -137.787713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.787713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.787713 (E_RNA)
where:
Base-Base interactions energy: -56.304
where: short stacking energy: -55.973
Base-Backbone interact. energy: -0.239
local terms energy: -81.244601
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -22.163
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -14.599
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: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -114.450267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.450267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.450267 (E_RNA)
where:
Base-Base interactions energy: -45.251
where: short stacking energy: -31.660
Base-Backbone interact. energy: -0.410
local terms energy: -68.789407
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -4.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -129.573006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.573006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.573006 (E_RNA)
where:
Base-Base interactions energy: -50.111
where: short stacking energy: -41.859
Base-Backbone interact. energy: -0.113
local terms energy: -79.349766
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -108.245233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.245233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.245233 (E_RNA)
where:
Base-Base interactions energy: -44.310
where: short stacking energy: -37.375
Base-Backbone interact. energy: 0.720
local terms energy: -64.655034
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -2.996
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -313.643005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.643005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.643005 (E_RNA)
where:
Base-Base interactions energy: -205.726
where: short stacking energy: -92.201
Base-Backbone interact. energy: -0.753
local terms energy: -107.164784
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -21.240
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -16.915
tors. eta vs tors. theta energy: -26.291
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: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -291.643228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.643228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.643228 (E_RNA)
where:
Base-Base interactions energy: -186.974
where: short stacking energy: -95.241
Base-Backbone interact. energy: -0.306
local terms energy: -104.364010
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -22.156
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -25.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -285.276302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.276302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.276302 (E_RNA)
where:
Base-Base interactions energy: -189.209
where: short stacking energy: -78.360
Base-Backbone interact. energy: -0.797
local terms energy: -95.270144
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -18.053
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: 309
Temperature: 1.050000
Total energy: -282.229319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.229319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.229319 (E_RNA)
where:
Base-Base interactions energy: -182.706
where: short stacking energy: -88.529
Base-Backbone interact. energy: -0.414
local terms energy: -99.108839
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -27.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -240.859825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.859825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.859825 (E_RNA)
where:
Base-Base interactions energy: -144.376
where: short stacking energy: -62.719
Base-Backbone interact. energy: -0.307
local terms energy: -96.177104
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -22.103
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: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -127.150779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.150779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.150779 (E_RNA)
where:
Base-Base interactions energy: -56.855
where: short stacking energy: -50.775
Base-Backbone interact. energy: -0.006
local terms energy: -70.289783
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -13.468
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: 7, replica: 7
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -126.327181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.327181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.327181 (E_RNA)
where:
Base-Base interactions energy: -61.265
where: short stacking energy: -37.465
Base-Backbone interact. energy: -1.389
local terms energy: -63.673379
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -22.851
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -1.285
tors. eta vs tors. theta energy: 0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -121.073293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.073293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.073293 (E_RNA)
where:
Base-Base interactions energy: -60.596
where: short stacking energy: -42.477
Base-Backbone interact. energy: -0.326
local terms energy: -60.151130
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -111.915889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.915889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.915889 (E_RNA)
where:
Base-Base interactions energy: -53.167
where: short stacking energy: -31.227
Base-Backbone interact. energy: -1.173
local terms energy: -57.575152
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: 2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -98.692668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.692668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.692668 (E_RNA)
where:
Base-Base interactions energy: -40.518
where: short stacking energy: -35.192
Base-Backbone interact. energy: -0.150
local terms energy: -58.025541
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -304.684133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.684133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.684133 (E_RNA)
where:
Base-Base interactions energy: -191.783
where: short stacking energy: -93.670
Base-Backbone interact. energy: -0.196
local terms energy: -112.705403
where:
bonds (distance) C4'-P energy: -22.249
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -23.722
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -28.035
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: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -306.509997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.509997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.509997 (E_RNA)
where:
Base-Base interactions energy: -201.112
where: short stacking energy: -96.127
Base-Backbone interact. energy: -0.242
local terms energy: -105.155727
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -23.610
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -24.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -290.376043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.376043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.376043 (E_RNA)
where:
Base-Base interactions energy: -199.397
where: short stacking energy: -95.102
Base-Backbone interact. energy: 0.169
local terms energy: -91.148446
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -27.394
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: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -265.311699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.311699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.311699 (E_RNA)
where:
Base-Base interactions energy: -176.251
where: short stacking energy: -87.268
Base-Backbone interact. energy: -0.729
local terms energy: -88.332012
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -22.299
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: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -252.742316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.742316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.742316 (E_RNA)
where:
Base-Base interactions energy: -174.410
where: short stacking energy: -82.266
Base-Backbone interact. energy: 1.605
local terms energy: -79.937645
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -17.130
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: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -124.444747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.444747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.444747 (E_RNA)
where:
Base-Base interactions energy: -45.796
where: short stacking energy: -45.796
Base-Backbone interact. energy: -0.025
local terms energy: -78.623401
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -12.209
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: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -125.464416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.464416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.464416 (E_RNA)
where:
Base-Base interactions energy: -50.604
where: short stacking energy: -43.563
Base-Backbone interact. energy: -0.191
local terms energy: -74.669796
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -23.597
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -126.384273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.384273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.384273 (E_RNA)
where:
Base-Base interactions energy: -47.664
where: short stacking energy: -47.664
Base-Backbone interact. energy: -0.039
local terms energy: -78.681950
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -110.886546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.886546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.886546 (E_RNA)
where:
Base-Base interactions energy: -42.532
where: short stacking energy: -38.536
Base-Backbone interact. energy: -0.658
local terms energy: -67.696824
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -96.852428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.852428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.852428 (E_RNA)
where:
Base-Base interactions energy: -29.394
where: short stacking energy: -28.883
Base-Backbone interact. energy: 0.336
local terms energy: -67.794804
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -2.395
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -306.340532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.340532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.340532 (E_RNA)
where:
Base-Base interactions energy: -213.977
where: short stacking energy: -101.549
Base-Backbone interact. energy: -0.157
local terms energy: -92.206405
where:
bonds (distance) C4'-P energy: -20.853
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -22.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -291.115339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.115339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.115339 (E_RNA)
where:
Base-Base interactions energy: -190.318
where: short stacking energy: -89.577
Base-Backbone interact. energy: -1.553
local terms energy: -99.243884
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -28.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -288.766430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.766430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.766430 (E_RNA)
where:
Base-Base interactions energy: -195.163
where: short stacking energy: -93.479
Base-Backbone interact. energy: 2.312
local terms energy: -95.915389
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -18.480
tors. eta vs tors. theta energy: -22.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -255.756699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.756699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.756699 (E_RNA)
where:
Base-Base interactions energy: -163.974
where: short stacking energy: -82.536
Base-Backbone interact. energy: -0.814
local terms energy: -90.969067
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -21.770
flat angles C4'-P-C4' energy: -20.963
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -19.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -255.176050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.176050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.176050 (E_RNA)
where:
Base-Base interactions energy: -172.041
where: short stacking energy: -83.570
Base-Backbone interact. energy: -1.023
local terms energy: -82.112153
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -23.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -128.290425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.290425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.290425 (E_RNA)
where:
Base-Base interactions energy: -54.049
where: short stacking energy: -49.399
Base-Backbone interact. energy: 2.766
local terms energy: -77.006519
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -4.456
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: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -114.530510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.530510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.530510 (E_RNA)
where:
Base-Base interactions energy: -54.247
where: short stacking energy: -48.827
Base-Backbone interact. energy: -0.179
local terms energy: -60.104484
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: 0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -118.890833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.890833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.890833 (E_RNA)
where:
Base-Base interactions energy: -47.601
where: short stacking energy: -43.507
Base-Backbone interact. energy: 0.471
local terms energy: -71.760381
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -22.715
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -5.337
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: 311
Temperature: 1.300000
Total energy: -111.892704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.892704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.892704 (E_RNA)
where:
Base-Base interactions energy: -39.582
where: short stacking energy: -39.582
Base-Backbone interact. energy: -0.777
local terms energy: -71.534133
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -104.689305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.689305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.689305 (E_RNA)
where:
Base-Base interactions energy: -44.651
where: short stacking energy: -41.160
Base-Backbone interact. energy: 1.010
local terms energy: -61.048185
where:
bonds (distance) C4'-P energy: -6.644
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -14.231
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -301.843439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.843439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.843439 (E_RNA)
where:
Base-Base interactions energy: -197.781
where: short stacking energy: -96.167
Base-Backbone interact. energy: -0.151
local terms energy: -103.911403
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -25.330
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -30.509
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: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -289.553713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.553713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.553713 (E_RNA)
where:
Base-Base interactions energy: -199.775
where: short stacking energy: -91.338
Base-Backbone interact. energy: -1.532
local terms energy: -88.247008
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -23.077
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: 3, replica: 6
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -288.883082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.883082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.883082 (E_RNA)
where:
Base-Base interactions energy: -187.589
where: short stacking energy: -84.617
Base-Backbone interact. energy: -0.221
local terms energy: -101.073042
where:
bonds (distance) C4'-P energy: -18.106
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -22.585
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -23.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -250.291077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.291077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.291077 (E_RNA)
where:
Base-Base interactions energy: -152.841
where: short stacking energy: -78.935
Base-Backbone interact. energy: -1.266
local terms energy: -96.184036
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -18.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -243.362584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.362584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.362584 (E_RNA)
where:
Base-Base interactions energy: -159.387
where: short stacking energy: -80.003
Base-Backbone interact. energy: -0.012
local terms energy: -83.963551
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -14.130
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: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -137.208281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.208281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.208281 (E_RNA)
where:
Base-Base interactions energy: -67.679
where: short stacking energy: -42.046
Base-Backbone interact. energy: 1.145
local terms energy: -70.674729
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -132.470864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.470864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.470864 (E_RNA)
where:
Base-Base interactions energy: -58.220
where: short stacking energy: -55.279
Base-Backbone interact. energy: -0.645
local terms energy: -73.606063
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -10.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -108.622904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.622904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.622904 (E_RNA)
where:
Base-Base interactions energy: -45.033
where: short stacking energy: -35.908
Base-Backbone interact. energy: 0.603
local terms energy: -64.193781
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -1.946
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: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -106.030217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.030217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.030217 (E_RNA)
where:
Base-Base interactions energy: -43.621
where: short stacking energy: -32.061
Base-Backbone interact. energy: -0.897
local terms energy: -61.511444
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -3.455
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: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -110.561009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.561009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.561009 (E_RNA)
where:
Base-Base interactions energy: -42.723
where: short stacking energy: -40.794
Base-Backbone interact. energy: -0.693
local terms energy: -67.144950
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -7.286
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -296.395815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.395815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.395815 (E_RNA)
where:
Base-Base interactions energy: -192.922
where: short stacking energy: -99.118
Base-Backbone interact. energy: -0.653
local terms energy: -102.820737
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: -26.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -300.266465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.266465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.266465 (E_RNA)
where:
Base-Base interactions energy: -198.770
where: short stacking energy: -87.997
Base-Backbone interact. energy: -2.648
local terms energy: -98.848384
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -27.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -286.135541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.135541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.135541 (E_RNA)
where:
Base-Base interactions energy: -192.157
where: short stacking energy: -79.457
Base-Backbone interact. energy: -0.939
local terms energy: -93.039558
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -245.210927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.210927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.210927 (E_RNA)
where:
Base-Base interactions energy: -159.930
where: short stacking energy: -78.836
Base-Backbone interact. energy: -0.685
local terms energy: -84.595931
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -16.921
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: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -240.865181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.865181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.865181 (E_RNA)
where:
Base-Base interactions energy: -158.939
where: short stacking energy: -66.467
Base-Backbone interact. energy: -0.463
local terms energy: -81.463163
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -7.620
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: 6, replica: 4
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -199.413151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.413151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.413151 (E_RNA)
where:
Base-Base interactions energy: -118.856
where: short stacking energy: -78.563
Base-Backbone interact. energy: -0.281
local terms energy: -80.277014
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -22.318
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: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -118.885773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.885773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.885773 (E_RNA)
where:
Base-Base interactions energy: -56.953
where: short stacking energy: -32.252
Base-Backbone interact. energy: -0.464
local terms energy: -61.468553
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -2.043
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: 10
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -110.767611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.767611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.767611 (E_RNA)
where:
Base-Base interactions energy: -44.208
where: short stacking energy: -43.897
Base-Backbone interact. energy: -0.129
local terms energy: -66.430359
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -121.300292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.300292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.300292 (E_RNA)
where:
Base-Base interactions energy: -45.552
where: short stacking energy: -32.650
Base-Backbone interact. energy: 0.863
local terms energy: -76.611417
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -96.794227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.794227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.794227 (E_RNA)
where:
Base-Base interactions energy: -31.570
where: short stacking energy: -29.868
Base-Backbone interact. energy: -0.170
local terms energy: -65.054031
where:
bonds (distance) C4'-P energy: -9.949
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -7.265
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -299.144673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.144673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.144673 (E_RNA)
where:
Base-Base interactions energy: -194.513
where: short stacking energy: -88.385
Base-Backbone interact. energy: 0.288
local terms energy: -104.919039
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -21.302
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: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -297.283658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.283658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.283658 (E_RNA)
where:
Base-Base interactions energy: -191.892
where: short stacking energy: -99.651
Base-Backbone interact. energy: -0.366
local terms energy: -105.025680
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -17.303
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: 3, replica: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -255.103687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.103687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.103687 (E_RNA)
where:
Base-Base interactions energy: -163.201
where: short stacking energy: -88.871
Base-Backbone interact. energy: -0.334
local terms energy: -91.568329
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -17.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -274.385441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.385441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.385441 (E_RNA)
where:
Base-Base interactions energy: -174.280
where: short stacking energy: -85.693
Base-Backbone interact. energy: -0.621
local terms energy: -99.484886
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -21.055
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -24.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -202.707576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.707576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.707576 (E_RNA)
where:
Base-Base interactions energy: -116.683
where: short stacking energy: -63.710
Base-Backbone interact. energy: -0.485
local terms energy: -85.539852
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -219.384939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.384939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.384939 (E_RNA)
where:
Base-Base interactions energy: -144.378
where: short stacking energy: -67.596
Base-Backbone interact. energy: -1.727
local terms energy: -73.279713
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -7.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -123.641009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.641009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.641009 (E_RNA)
where:
Base-Base interactions energy: -60.982
where: short stacking energy: -39.995
Base-Backbone interact. energy: -0.621
local terms energy: -62.038155
where:
bonds (distance) C4'-P energy: -8.496
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -14.178
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: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -136.462808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.462808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.462808 (E_RNA)
where:
Base-Base interactions energy: -59.962
where: short stacking energy: -59.962
Base-Backbone interact. energy: -0.125
local terms energy: -76.375891
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -15.158
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: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -106.338152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.338152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.338152 (E_RNA)
where:
Base-Base interactions energy: -41.672
where: short stacking energy: -37.031
Base-Backbone interact. energy: -0.219
local terms energy: -64.447678
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -10.496
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: 10, replica: 1
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -94.125026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.125026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.125026 (E_RNA)
where:
Base-Base interactions energy: -40.708
where: short stacking energy: -31.449
Base-Backbone interact. energy: 2.198
local terms energy: -55.615408
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -1.593
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -299.282327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.282327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.282327 (E_RNA)
where:
Base-Base interactions energy: -191.287
where: short stacking energy: -82.905
Base-Backbone interact. energy: -3.450
local terms energy: -104.545113
where:
bonds (distance) C4'-P energy: -21.085
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -23.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -288.071551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.071551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.071551 (E_RNA)
where:
Base-Base interactions energy: -187.814
where: short stacking energy: -93.505
Base-Backbone interact. energy: -0.031
local terms energy: -100.226557
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -27.544
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: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -241.951859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.951859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.951859 (E_RNA)
where:
Base-Base interactions energy: -148.904
where: short stacking energy: -77.885
Base-Backbone interact. energy: -0.634
local terms energy: -92.413797
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -14.768
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: 4, replica: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -272.661156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.661156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.661156 (E_RNA)
where:
Base-Base interactions energy: -184.510
where: short stacking energy: -95.407
Base-Backbone interact. energy: -0.107
local terms energy: -88.044270
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -210.106408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.106408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.106408 (E_RNA)
where:
Base-Base interactions energy: -123.411
where: short stacking energy: -56.111
Base-Backbone interact. energy: -1.170
local terms energy: -85.525550
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -23.509
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -13.152
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: 6, replica: 2
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -126.882990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.882990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.882990 (E_RNA)
where:
Base-Base interactions energy: -57.394
where: short stacking energy: -47.586
Base-Backbone interact. energy: -0.331
local terms energy: -69.158602
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -186.507157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.507157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.507157 (E_RNA)
where:
Base-Base interactions energy: -108.076
where: short stacking energy: -62.525
Base-Backbone interact. energy: -2.133
local terms energy: -76.297878
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -15.342
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: 8, replica: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -118.961691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.961691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.961691 (E_RNA)
where:
Base-Base interactions energy: -49.367
where: short stacking energy: -25.470
Base-Backbone interact. energy: -0.370
local terms energy: -69.224858
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -2.937
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: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -95.963307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.963307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.963307 (E_RNA)
where:
Base-Base interactions energy: -33.920
where: short stacking energy: -31.178
Base-Backbone interact. energy: -0.314
local terms energy: -61.729987
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -111.358442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.358442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.358442 (E_RNA)
where:
Base-Base interactions energy: -42.424
where: short stacking energy: -42.424
Base-Backbone interact. energy: 0.108
local terms energy: -69.041857
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -23.601
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -301.240292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.240292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.240292 (E_RNA)
where:
Base-Base interactions energy: -202.396
where: short stacking energy: -81.568
Base-Backbone interact. energy: -0.473
local terms energy: -98.371148
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -23.733
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -22.767
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: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -285.052006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.052006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.052006 (E_RNA)
where:
Base-Base interactions energy: -176.007
where: short stacking energy: -87.177
Base-Backbone interact. energy: -0.107
local terms energy: -108.938397
where:
bonds (distance) C4'-P energy: -21.103
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: -29.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -272.092744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.092744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.092744 (E_RNA)
where:
Base-Base interactions energy: -168.803
where: short stacking energy: -83.031
Base-Backbone interact. energy: 0.501
local terms energy: -103.790225
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: -26.909
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: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -236.838126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.838126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.838126 (E_RNA)
where:
Base-Base interactions energy: -157.826
where: short stacking energy: -77.785
Base-Backbone interact. energy: 1.322
local terms energy: -80.334528
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -20.497
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: 316
Temperature: 1.100000
Total energy: -213.048067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.048067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.048067 (E_RNA)
where:
Base-Base interactions energy: -131.157
where: short stacking energy: -58.162
Base-Backbone interact. energy: -0.719
local terms energy: -81.172506
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -23.044
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -15.541
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: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -125.671573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.671573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.671573 (E_RNA)
where:
Base-Base interactions energy: -57.632
where: short stacking energy: -44.498
Base-Backbone interact. energy: -0.374
local terms energy: -67.665863
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -13.518
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: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -198.389717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.389717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.389717 (E_RNA)
where:
Base-Base interactions energy: -129.605
where: short stacking energy: -69.277
Base-Backbone interact. energy: 1.498
local terms energy: -70.282439
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -8.995
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -15.119
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: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -105.296902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.296902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.296902 (E_RNA)
where:
Base-Base interactions energy: -50.360
where: short stacking energy: -47.360
Base-Backbone interact. energy: -0.338
local terms energy: -54.598391
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: 0.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -109.335258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.335258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.335258 (E_RNA)
where:
Base-Base interactions energy: -43.310
where: short stacking energy: -32.002
Base-Backbone interact. energy: -0.212
local terms energy: -65.814082
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -10.578
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: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -92.624299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.624299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.624299 (E_RNA)
where:
Base-Base interactions energy: -32.747
where: short stacking energy: -18.855
Base-Backbone interact. energy: -0.096
local terms energy: -59.781334
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -24.450
flat angles C4'-P-C4' energy: -20.475
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: 1.920
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -298.957897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.957897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.957897 (E_RNA)
where:
Base-Base interactions energy: -197.696
where: short stacking energy: -90.390
Base-Backbone interact. energy: -1.831
local terms energy: -99.430225
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -23.409
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -297.847317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.847317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.847317 (E_RNA)
where:
Base-Base interactions energy: -198.853
where: short stacking energy: -102.027
Base-Backbone interact. energy: -1.628
local terms energy: -97.366093
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -23.188
flat angles P-C4'-P energy: -16.399
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: 3, replica: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -290.959574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.959574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.959574 (E_RNA)
where:
Base-Base interactions energy: -183.646
where: short stacking energy: -93.032
Base-Backbone interact. energy: -0.083
local terms energy: -107.230014
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -16.561
tors. eta vs tors. theta energy: -29.646
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: 317
Temperature: 1.050000
Total energy: -244.385013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.385013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.385013 (E_RNA)
where:
Base-Base interactions energy: -157.009
where: short stacking energy: -79.196
Base-Backbone interact. energy: -0.712
local terms energy: -86.663370
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -16.972
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: 317
Temperature: 1.100000
Total energy: -218.588852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.588852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.588852 (E_RNA)
where:
Base-Base interactions energy: -133.284
where: short stacking energy: -72.487
Base-Backbone interact. energy: -0.255
local terms energy: -85.050019
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -19.444
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: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -212.759289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.759289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.759289 (E_RNA)
where:
Base-Base interactions energy: -129.891
where: short stacking energy: -78.300
Base-Backbone interact. energy: -0.915
local terms energy: -81.953470
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -21.380
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -121.491496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.491496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.491496 (E_RNA)
where:
Base-Base interactions energy: -49.932
where: short stacking energy: -39.568
Base-Backbone interact. energy: -0.039
local terms energy: -71.520263
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -5.992
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: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -108.314158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.314158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.314158 (E_RNA)
where:
Base-Base interactions energy: -38.419
where: short stacking energy: -36.148
Base-Backbone interact. energy: 0.334
local terms energy: -70.228587
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -105.487204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.487204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.487204 (E_RNA)
where:
Base-Base interactions energy: -41.980
where: short stacking energy: -36.190
Base-Backbone interact. energy: -0.290
local terms energy: -63.217784
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -115.358801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.358801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.358801 (E_RNA)
where:
Base-Base interactions energy: -65.325
where: short stacking energy: -23.950
Base-Backbone interact. energy: -1.457
local terms energy: -48.576578
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: 3.122
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -304.745938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.745938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.745938 (E_RNA)
where:
Base-Base interactions energy: -202.053
where: short stacking energy: -92.298
Base-Backbone interact. energy: -0.017
local terms energy: -102.675989
where:
bonds (distance) C4'-P energy: -22.616
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -15.924
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -301.664902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.664902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.664902 (E_RNA)
where:
Base-Base interactions energy: -188.572
where: short stacking energy: -90.102
Base-Backbone interact. energy: -0.116
local terms energy: -112.976843
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -31.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -293.914932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.914932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.914932 (E_RNA)
where:
Base-Base interactions energy: -183.341
where: short stacking energy: -89.658
Base-Backbone interact. energy: -0.288
local terms energy: -110.286452
where:
bonds (distance) C4'-P energy: -21.499
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -18.445
tors. eta vs tors. theta energy: -29.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -241.730414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.730414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.730414 (E_RNA)
where:
Base-Base interactions energy: -145.096
where: short stacking energy: -72.475
Base-Backbone interact. energy: -0.237
local terms energy: -96.397549
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -19.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -190.238769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.238769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.238769 (E_RNA)
where:
Base-Base interactions energy: -111.630
where: short stacking energy: -69.566
Base-Backbone interact. energy: -0.201
local terms energy: -78.407844
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -12.434
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: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -209.243525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.243525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.243525 (E_RNA)
where:
Base-Base interactions energy: -127.883
where: short stacking energy: -78.667
Base-Backbone interact. energy: -0.630
local terms energy: -80.730151
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -21.155
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -18.474
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: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -120.318614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.318614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.318614 (E_RNA)
where:
Base-Base interactions energy: -51.924
where: short stacking energy: -43.233
Base-Backbone interact. energy: -0.248
local terms energy: -68.146663
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -8.700
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -127.104786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.104786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.104786 (E_RNA)
where:
Base-Base interactions energy: -59.954
where: short stacking energy: -53.244
Base-Backbone interact. energy: -1.501
local terms energy: -65.650514
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -4.999
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: 318
Temperature: 1.300000
Total energy: -114.842802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.842802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.842802 (E_RNA)
where:
Base-Base interactions energy: -47.932
where: short stacking energy: -35.471
Base-Backbone interact. energy: 0.269
local terms energy: -67.180034
where:
bonds (distance) C4'-P energy: -21.210
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -2.702
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: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -99.929341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.929341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.929341 (E_RNA)
where:
Base-Base interactions energy: -36.525
where: short stacking energy: -36.525
Base-Backbone interact. energy: -0.169
local terms energy: -63.236098
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -1.666
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -298.754537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.754537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.754537 (E_RNA)
where:
Base-Base interactions energy: -198.829
where: short stacking energy: -82.410
Base-Backbone interact. energy: -0.303
local terms energy: -99.622544
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -18.938
tors. eta vs tors. theta energy: -21.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -297.557755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.557755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.557755 (E_RNA)
where:
Base-Base interactions energy: -195.847
where: short stacking energy: -97.900
Base-Backbone interact. energy: -0.246
local terms energy: -101.464554
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -27.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -262.171301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.171301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.171301 (E_RNA)
where:
Base-Base interactions energy: -182.048
where: short stacking energy: -77.124
Base-Backbone interact. energy: 0.849
local terms energy: -80.971725
where:
bonds (distance) C4'-P energy: -21.390
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -9.397
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -218.503913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.503913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.503913 (E_RNA)
where:
Base-Base interactions energy: -132.973
where: short stacking energy: -76.220
Base-Backbone interact. energy: -0.312
local terms energy: -85.218396
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -20.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -228.948658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.948658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.948658 (E_RNA)
where:
Base-Base interactions energy: -145.146
where: short stacking energy: -70.501
Base-Backbone interact. energy: -0.961
local terms energy: -82.841857
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -13.130
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: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -191.388640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.388640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.388640 (E_RNA)
where:
Base-Base interactions energy: -105.615
where: short stacking energy: -62.710
Base-Backbone interact. energy: -0.989
local terms energy: -84.784091
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -13.891
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: 7, replica: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -135.970832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.970832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.970832 (E_RNA)
where:
Base-Base interactions energy: -52.140
where: short stacking energy: -48.550
Base-Backbone interact. energy: -0.125
local terms energy: -83.706241
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -13.041
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: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -106.381184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.381184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.381184 (E_RNA)
where:
Base-Base interactions energy: -34.719
where: short stacking energy: -34.719
Base-Backbone interact. energy: 0.665
local terms energy: -72.326982
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -19.636
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -1.503
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: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -107.274799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.274799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.274799 (E_RNA)
where:
Base-Base interactions energy: -46.712
where: short stacking energy: -36.640
Base-Backbone interact. energy: 2.174
local terms energy: -62.736501
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -5.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -104.218902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.218902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.218902 (E_RNA)
where:
Base-Base interactions energy: -39.091
where: short stacking energy: -28.058
Base-Backbone interact. energy: 1.382
local terms energy: -66.510261
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -0.438
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -307.122881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.122881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.122881 (E_RNA)
where:
Base-Base interactions energy: -202.391
where: short stacking energy: -96.831
Base-Backbone interact. energy: -0.070
local terms energy: -104.661894
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -28.443
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: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -309.515794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.515794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.515794 (E_RNA)
where:
Base-Base interactions energy: -204.779
where: short stacking energy: -87.815
Base-Backbone interact. energy: -0.683
local terms energy: -104.053918
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -25.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -283.498166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.498166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.498166 (E_RNA)
where:
Base-Base interactions energy: -188.140
where: short stacking energy: -93.425
Base-Backbone interact. energy: -0.638
local terms energy: -94.719720
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -26.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -227.049752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.049752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.049752 (E_RNA)
where:
Base-Base interactions energy: -130.384
where: short stacking energy: -88.164
Base-Backbone interact. energy: 0.189
local terms energy: -96.855035
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -24.060
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -22.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -228.113687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.113687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.113687 (E_RNA)
where:
Base-Base interactions energy: -146.405
where: short stacking energy: -61.163
Base-Backbone interact. energy: -1.073
local terms energy: -80.635699
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -18.786
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -15.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -198.409046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.409046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.409046 (E_RNA)
where:
Base-Base interactions energy: -122.313
where: short stacking energy: -59.852
Base-Backbone interact. energy: 0.020
local terms energy: -76.116140
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -22.410
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -4.783
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: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -128.727603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.727603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.727603 (E_RNA)
where:
Base-Base interactions energy: -56.298
where: short stacking energy: -49.739
Base-Backbone interact. energy: -0.176
local terms energy: -72.253895
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -13.999
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: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -102.601299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.601299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.601299 (E_RNA)
where:
Base-Base interactions energy: -39.348
where: short stacking energy: -35.120
Base-Backbone interact. energy: 0.744
local terms energy: -63.997072
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -2.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -108.256650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.256650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.256650 (E_RNA)
where:
Base-Base interactions energy: -47.546
where: short stacking energy: -37.807
Base-Backbone interact. energy: -0.340
local terms energy: -60.371009
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -19.888
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -101.680806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.680806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.680806 (E_RNA)
where:
Base-Base interactions energy: -39.778
where: short stacking energy: -39.778
Base-Backbone interact. energy: 0.174
local terms energy: -62.077522
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: 2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -293.112756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.112756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.112756 (E_RNA)
where:
Base-Base interactions energy: -188.304
where: short stacking energy: -92.625
Base-Backbone interact. energy: -0.529
local terms energy: -104.278904
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -27.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -302.795211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.795211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.795211 (E_RNA)
where:
Base-Base interactions energy: -201.576
where: short stacking energy: -87.890
Base-Backbone interact. energy: -0.503
local terms energy: -100.715944
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -25.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -288.356046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.356046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.356046 (E_RNA)
where:
Base-Base interactions energy: -186.370
where: short stacking energy: -89.369
Base-Backbone interact. energy: -1.510
local terms energy: -100.476863
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -26.246
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: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -240.971020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.971020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.971020 (E_RNA)
where:
Base-Base interactions energy: -159.543
where: short stacking energy: -84.853
Base-Backbone interact. energy: -0.154
local terms energy: -81.273809
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -23.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -223.596851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.596851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.596851 (E_RNA)
where:
Base-Base interactions energy: -141.753
where: short stacking energy: -62.359
Base-Backbone interact. energy: -0.852
local terms energy: -80.992266
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -18.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -200.935613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.935613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.935613 (E_RNA)
where:
Base-Base interactions energy: -115.572
where: short stacking energy: -66.177
Base-Backbone interact. energy: -0.158
local terms energy: -85.205884
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -11.111
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: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -127.329313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.329313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.329313 (E_RNA)
where:
Base-Base interactions energy: -54.169
where: short stacking energy: -48.567
Base-Backbone interact. energy: -0.054
local terms energy: -73.106799
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -21.464
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -117.361161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.361161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.361161 (E_RNA)
where:
Base-Base interactions energy: -41.438
where: short stacking energy: -41.438
Base-Backbone interact. energy: -0.306
local terms energy: -75.616999
where:
bonds (distance) C4'-P energy: -20.158
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -7.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -118.619460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.619460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.619460 (E_RNA)
where:
Base-Base interactions energy: -49.951
where: short stacking energy: -33.156
Base-Backbone interact. energy: -0.101
local terms energy: -68.567336
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -103.069663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.069663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.069663 (E_RNA)
where:
Base-Base interactions energy: -43.805
where: short stacking energy: -29.427
Base-Backbone interact. energy: -0.825
local terms energy: -58.439544
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -1.667
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -308.253030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.253030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.253030 (E_RNA)
where:
Base-Base interactions energy: -206.060
where: short stacking energy: -91.588
Base-Backbone interact. energy: 0.001
local terms energy: -102.193937
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -21.950
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -27.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -288.604712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.604712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.604712 (E_RNA)
where:
Base-Base interactions energy: -190.470
where: short stacking energy: -89.075
Base-Backbone interact. energy: -0.107
local terms energy: -98.028653
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -25.232
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: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -291.310057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.310057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.310057 (E_RNA)
where:
Base-Base interactions energy: -184.554
where: short stacking energy: -92.130
Base-Backbone interact. energy: -1.714
local terms energy: -105.041471
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -27.604
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: 322
Temperature: 1.050000
Total energy: -234.881146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.881146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.881146 (E_RNA)
where:
Base-Base interactions energy: -151.209
where: short stacking energy: -66.820
Base-Backbone interact. energy: -0.414
local terms energy: -83.258108
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -19.131
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: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -246.234986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.234986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.234986 (E_RNA)
where:
Base-Base interactions energy: -154.562
where: short stacking energy: -68.627
Base-Backbone interact. energy: -0.157
local terms energy: -91.515282
where:
bonds (distance) C4'-P energy: -23.084
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -20.677
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: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -197.204895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.204895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.204895 (E_RNA)
where:
Base-Base interactions energy: -108.278
where: short stacking energy: -66.420
Base-Backbone interact. energy: -0.244
local terms energy: -88.683083
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -13.387
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: 7, replica: 7
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -115.896759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.896759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.896759 (E_RNA)
where:
Base-Base interactions energy: -47.069
where: short stacking energy: -39.762
Base-Backbone interact. energy: 0.017
local terms energy: -68.844178
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -18.653
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -144.687770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.687770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.687770 (E_RNA)
where:
Base-Base interactions energy: -68.721
where: short stacking energy: -40.541
Base-Backbone interact. energy: -0.143
local terms energy: -75.823787
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -107.241360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.241360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.241360 (E_RNA)
where:
Base-Base interactions energy: -40.884
where: short stacking energy: -39.804
Base-Backbone interact. energy: -0.023
local terms energy: -66.334172
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -5.816
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: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -95.421380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.421380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.421380 (E_RNA)
where:
Base-Base interactions energy: -38.202
where: short stacking energy: -25.593
Base-Backbone interact. energy: -0.310
local terms energy: -56.908789
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -4.163
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -309.249973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.249973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.249973 (E_RNA)
where:
Base-Base interactions energy: -202.104
where: short stacking energy: -94.339
Base-Backbone interact. energy: -1.464
local terms energy: -105.682598
where:
bonds (distance) C4'-P energy: -24.102
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -28.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -301.265188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.265188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.265188 (E_RNA)
where:
Base-Base interactions energy: -199.124
where: short stacking energy: -95.194
Base-Backbone interact. energy: -0.156
local terms energy: -101.985052
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -24.561
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -25.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -288.142433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.142433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.142433 (E_RNA)
where:
Base-Base interactions energy: -184.167
where: short stacking energy: -98.016
Base-Backbone interact. energy: -0.209
local terms energy: -103.766813
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -26.745
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: 4, replica: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -252.316288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.316288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.316288 (E_RNA)
where:
Base-Base interactions energy: -162.387
where: short stacking energy: -81.899
Base-Backbone interact. energy: -0.399
local terms energy: -89.530170
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -21.175
flat angles P-C4'-P energy: -12.414
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: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -205.213886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.213886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.213886 (E_RNA)
where:
Base-Base interactions energy: -124.093
where: short stacking energy: -72.332
Base-Backbone interact. energy: -0.483
local terms energy: -80.637757
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -21.556
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -13.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -214.362790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.362790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.362790 (E_RNA)
where:
Base-Base interactions energy: -117.021
where: short stacking energy: -66.434
Base-Backbone interact. energy: -0.109
local terms energy: -97.233302
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -22.919
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -20.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -118.475236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.475236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.475236 (E_RNA)
where:
Base-Base interactions energy: -56.275
where: short stacking energy: -39.835
Base-Backbone interact. energy: -0.317
local terms energy: -61.882778
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -20.385
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -142.699066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.699066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.699066 (E_RNA)
where:
Base-Base interactions energy: -83.033
where: short stacking energy: -24.321
Base-Backbone interact. energy: -0.223
local terms energy: -59.443481
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -8.573
flat angles P-C4'-P energy: -9.184
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: 9, replica: 2
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -104.110037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.110037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.110037 (E_RNA)
where:
Base-Base interactions energy: -46.048
where: short stacking energy: -24.091
Base-Backbone interact. energy: -0.435
local terms energy: -57.626885
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: 2.781
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: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -96.949963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.949963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.949963 (E_RNA)
where:
Base-Base interactions energy: -31.138
where: short stacking energy: -27.358
Base-Backbone interact. energy: -0.302
local terms energy: -65.510292
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: 1.576
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -308.641052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.641052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.641052 (E_RNA)
where:
Base-Base interactions energy: -205.316
where: short stacking energy: -104.300
Base-Backbone interact. energy: -0.317
local terms energy: -103.008029
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -20.114
flat angles C4'-P-C4' energy: -22.279
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -27.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -305.588221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.588221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.588221 (E_RNA)
where:
Base-Base interactions energy: -194.492
where: short stacking energy: -95.320
Base-Backbone interact. energy: -1.229
local terms energy: -109.867226
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -24.402
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -27.442
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: 6
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -290.631345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.631345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.631345 (E_RNA)
where:
Base-Base interactions energy: -181.632
where: short stacking energy: -97.899
Base-Backbone interact. energy: -0.123
local terms energy: -108.876172
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -27.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -243.107625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.107625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.107625 (E_RNA)
where:
Base-Base interactions energy: -151.026
where: short stacking energy: -75.172
Base-Backbone interact. energy: 0.075
local terms energy: -92.157535
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -19.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -198.111425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.111425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.111425 (E_RNA)
where:
Base-Base interactions energy: -117.910
where: short stacking energy: -64.129
Base-Backbone interact. energy: -0.482
local terms energy: -79.719385
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -179.176706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.176706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.176706 (E_RNA)
where:
Base-Base interactions energy: -99.343
where: short stacking energy: -57.256
Base-Backbone interact. energy: 0.297
local terms energy: -80.130717
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -8.574
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: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -116.836177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.836177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.836177 (E_RNA)
where:
Base-Base interactions energy: -43.102
where: short stacking energy: -42.416
Base-Backbone interact. energy: -0.332
local terms energy: -73.402667
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: 1.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -112.446658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.446658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.446658 (E_RNA)
where:
Base-Base interactions energy: -38.778
where: short stacking energy: -27.303
Base-Backbone interact. energy: -0.538
local terms energy: -73.131378
where:
bonds (distance) C4'-P energy: -22.522
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -12.862
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: 9, replica: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -100.487112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.487112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.487112 (E_RNA)
where:
Base-Base interactions energy: -43.596
where: short stacking energy: -39.697
Base-Backbone interact. energy: 0.009
local terms energy: -56.900227
where:
bonds (distance) C4'-P energy: -8.835
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: 1.688
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: 10, replica: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -109.018246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.018246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.018246 (E_RNA)
where:
Base-Base interactions energy: -44.263
where: short stacking energy: -31.683
Base-Backbone interact. energy: -0.347
local terms energy: -64.407844
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -8.265
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -305.357394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.357394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.357394 (E_RNA)
where:
Base-Base interactions energy: -199.438
where: short stacking energy: -102.647
Base-Backbone interact. energy: -0.081
local terms energy: -105.838205
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -29.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -302.047313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.047313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.047313 (E_RNA)
where:
Base-Base interactions energy: -200.750
where: short stacking energy: -91.498
Base-Backbone interact. energy: -1.240
local terms energy: -100.057587
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -15.091
tors. eta vs tors. theta energy: -24.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -278.882244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.882244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.882244 (E_RNA)
where:
Base-Base interactions energy: -184.246
where: short stacking energy: -82.949
Base-Backbone interact. energy: -0.361
local terms energy: -94.275482
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -20.667
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: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -234.387897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.387897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.387897 (E_RNA)
where:
Base-Base interactions energy: -148.289
where: short stacking energy: -80.962
Base-Backbone interact. energy: -0.099
local terms energy: -85.999714
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -17.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -235.734553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.734553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.734553 (E_RNA)
where:
Base-Base interactions energy: -150.521
where: short stacking energy: -68.085
Base-Backbone interact. energy: 0.454
local terms energy: -85.667635
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -21.869
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -167.718594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.718594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.718594 (E_RNA)
where:
Base-Base interactions energy: -97.192
where: short stacking energy: -49.369
Base-Backbone interact. energy: 0.812
local terms energy: -71.338014
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -10.737
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: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -115.060251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.060251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.060251 (E_RNA)
where:
Base-Base interactions energy: -34.332
where: short stacking energy: -32.805
Base-Backbone interact. energy: -0.121
local terms energy: -80.607746
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: -2.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -117.492738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.492738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.492738 (E_RNA)
where:
Base-Base interactions energy: -59.312
where: short stacking energy: -41.981
Base-Backbone interact. energy: 3.399
local terms energy: -61.580386
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -122.150437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.150437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.150437 (E_RNA)
where:
Base-Base interactions energy: -46.532
where: short stacking energy: -46.009
Base-Backbone interact. energy: -0.885
local terms energy: -74.733927
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -22.220
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -98.287012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.287012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.287012 (E_RNA)
where:
Base-Base interactions energy: -40.049
where: short stacking energy: -39.616
Base-Backbone interact. energy: -0.629
local terms energy: -57.609018
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -2.157
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -304.117718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.117718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.117718 (E_RNA)
where:
Base-Base interactions energy: -196.479
where: short stacking energy: -94.629
Base-Backbone interact. energy: -2.406
local terms energy: -105.232366
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -23.180
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -27.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -296.326871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.326871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.326871 (E_RNA)
where:
Base-Base interactions energy: -195.522
where: short stacking energy: -101.032
Base-Backbone interact. energy: -0.424
local terms energy: -100.381215
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -24.588
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -27.427
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: 326
Temperature: 1.000000
Total energy: -273.610061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.610061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.610061 (E_RNA)
where:
Base-Base interactions energy: -178.756
where: short stacking energy: -86.733
Base-Backbone interact. energy: -0.335
local terms energy: -94.518639
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -24.973
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: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -210.059386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.059386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.059386 (E_RNA)
where:
Base-Base interactions energy: -129.232
where: short stacking energy: -67.812
Base-Backbone interact. energy: -0.093
local terms energy: -80.734347
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -12.833
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: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -247.168143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.168143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.168143 (E_RNA)
where:
Base-Base interactions energy: -147.094
where: short stacking energy: -76.067
Base-Backbone interact. energy: -1.536
local terms energy: -98.538085
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -23.207
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -19.823
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: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -183.497300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.497300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.497300 (E_RNA)
where:
Base-Base interactions energy: -110.722
where: short stacking energy: -47.772
Base-Backbone interact. energy: -0.205
local terms energy: -72.570075
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -8.734
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: 7
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -114.740922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.740922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.740922 (E_RNA)
where:
Base-Base interactions energy: -50.426
where: short stacking energy: -39.105
Base-Backbone interact. energy: -0.323
local terms energy: -63.991858
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -6.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -132.076265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.076265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.076265 (E_RNA)
where:
Base-Base interactions energy: -62.028
where: short stacking energy: -34.806
Base-Backbone interact. energy: -0.305
local terms energy: -69.743401
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -103.966654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.966654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.966654 (E_RNA)
where:
Base-Base interactions energy: -49.532
where: short stacking energy: -38.023
Base-Backbone interact. energy: -0.274
local terms energy: -54.160958
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -103.255185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.255185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.255185 (E_RNA)
where:
Base-Base interactions energy: -42.086
where: short stacking energy: -42.405
Base-Backbone interact. energy: -0.488
local terms energy: -60.681710
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -1.059
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -313.078166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.078166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.078166 (E_RNA)
where:
Base-Base interactions energy: -206.815
where: short stacking energy: -97.538
Base-Backbone interact. energy: -0.445
local terms energy: -105.817988
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -23.058
flat angles C4'-P-C4' energy: -19.450
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -26.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -280.169915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.169915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.169915 (E_RNA)
where:
Base-Base interactions energy: -182.925
where: short stacking energy: -80.401
Base-Backbone interact. energy: 0.471
local terms energy: -97.716397
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -23.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -296.871946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.871946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.871946 (E_RNA)
where:
Base-Base interactions energy: -192.894
where: short stacking energy: -94.023
Base-Backbone interact. energy: -0.400
local terms energy: -103.578029
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -23.656
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -26.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -243.809100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.809100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.809100 (E_RNA)
where:
Base-Base interactions energy: -154.856
where: short stacking energy: -85.107
Base-Backbone interact. energy: -0.833
local terms energy: -88.120118
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -20.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -187.652896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.652896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.652896 (E_RNA)
where:
Base-Base interactions energy: -108.657
where: short stacking energy: -64.879
Base-Backbone interact. energy: 0.710
local terms energy: -79.705258
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -11.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -181.186899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.186899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.186899 (E_RNA)
where:
Base-Base interactions energy: -107.775
where: short stacking energy: -60.803
Base-Backbone interact. energy: -0.214
local terms energy: -73.198462
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -14.654
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: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -144.082009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.082009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.082009 (E_RNA)
where:
Base-Base interactions energy: -63.319
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.094
local terms energy: -80.669507
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -20.344
flat angles C4'-P-C4' energy: -21.126
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -11.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -115.024367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.024367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.024367 (E_RNA)
where:
Base-Base interactions energy: -41.659
where: short stacking energy: -41.558
Base-Backbone interact. energy: -0.512
local terms energy: -72.853707
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -4.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -106.386708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.386708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.386708 (E_RNA)
where:
Base-Base interactions energy: -41.897
where: short stacking energy: -29.053
Base-Backbone interact. energy: -1.423
local terms energy: -63.066516
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -1.308
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: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -115.129228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.129228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.129228 (E_RNA)
where:
Base-Base interactions energy: -49.303
where: short stacking energy: -42.106
Base-Backbone interact. energy: -0.121
local terms energy: -65.705245
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -7.120
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -317.291746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.291746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.291746 (E_RNA)
where:
Base-Base interactions energy: -213.413
where: short stacking energy: -99.412
Base-Backbone interact. energy: -1.161
local terms energy: -102.717860
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -27.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -285.146102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.146102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.146102 (E_RNA)
where:
Base-Base interactions energy: -185.023
where: short stacking energy: -85.722
Base-Backbone interact. energy: -0.244
local terms energy: -99.879654
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -21.813
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -283.967795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.967795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.967795 (E_RNA)
where:
Base-Base interactions energy: -189.220
where: short stacking energy: -88.090
Base-Backbone interact. energy: -0.596
local terms energy: -94.151944
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -16.341
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -26.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -251.572667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.572667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.572667 (E_RNA)
where:
Base-Base interactions energy: -162.790
where: short stacking energy: -80.275
Base-Backbone interact. energy: -0.412
local terms energy: -88.371190
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -21.279
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -13.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -177.001369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.001369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.001369 (E_RNA)
where:
Base-Base interactions energy: -103.911
where: short stacking energy: -69.444
Base-Backbone interact. energy: -0.493
local terms energy: -72.598139
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -17.791
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: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -192.473470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.473470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.473470 (E_RNA)
where:
Base-Base interactions energy: -117.980
where: short stacking energy: -72.812
Base-Backbone interact. energy: -0.093
local terms energy: -74.400268
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -20.347
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: 2
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -132.255716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.255716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.255716 (E_RNA)
where:
Base-Base interactions energy: -60.213
where: short stacking energy: -50.684
Base-Backbone interact. energy: -0.199
local terms energy: -71.843714
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -5.487
tors. eta vs tors. theta energy: -7.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -111.507878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.507878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.507878 (E_RNA)
where:
Base-Base interactions energy: -48.350
where: short stacking energy: -44.315
Base-Backbone interact. energy: -0.567
local terms energy: -62.590282
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -114.576024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.576024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.576024 (E_RNA)
where:
Base-Base interactions energy: -50.286
where: short stacking energy: -34.788
Base-Backbone interact. energy: 0.642
local terms energy: -64.931474
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: 1.706
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: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -106.677156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.677156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.677156 (E_RNA)
where:
Base-Base interactions energy: -49.997
where: short stacking energy: -27.455
Base-Backbone interact. energy: -0.256
local terms energy: -56.424224
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -3.622
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -312.810761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.810761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.810761 (E_RNA)
where:
Base-Base interactions energy: -211.346
where: short stacking energy: -95.459
Base-Backbone interact. energy: -0.131
local terms energy: -101.333390
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -25.167
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: 2, replica: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -285.537920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.537920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.537920 (E_RNA)
where:
Base-Base interactions energy: -188.583
where: short stacking energy: -88.229
Base-Backbone interact. energy: -0.101
local terms energy: -96.853651
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -24.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -266.365817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.365817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.365817 (E_RNA)
where:
Base-Base interactions energy: -169.851
where: short stacking energy: -94.106
Base-Backbone interact. energy: -1.106
local terms energy: -95.409092
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -25.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -269.252234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.252234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.252234 (E_RNA)
where:
Base-Base interactions energy: -179.620
where: short stacking energy: -71.352
Base-Backbone interact. energy: -1.166
local terms energy: -88.465795
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -18.421
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: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -194.227690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.227690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.227690 (E_RNA)
where:
Base-Base interactions energy: -111.233
where: short stacking energy: -70.710
Base-Backbone interact. energy: -0.018
local terms energy: -82.976279
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -15.471
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: 6, replica: 9
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -180.084323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.084323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.084323 (E_RNA)
where:
Base-Base interactions energy: -96.511
where: short stacking energy: -52.568
Base-Backbone interact. energy: -0.211
local terms energy: -83.361792
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -21.539
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -12.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -130.018806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.018806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.018806 (E_RNA)
where:
Base-Base interactions energy: -64.815
where: short stacking energy: -41.593
Base-Backbone interact. energy: 2.398
local terms energy: -67.602378
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -2.738
tors. eta vs tors. theta energy: -10.064
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: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -115.450726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.450726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.450726 (E_RNA)
where:
Base-Base interactions energy: -54.592
where: short stacking energy: -45.630
Base-Backbone interact. energy: 0.054
local terms energy: -60.912966
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -4.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -95.695236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.695236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.695236 (E_RNA)
where:
Base-Base interactions energy: -36.625
where: short stacking energy: -36.625
Base-Backbone interact. energy: -0.088
local terms energy: -58.982193
where:
bonds (distance) C4'-P energy: -19.123
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -4.301
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: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -94.274036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.274036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.274036 (E_RNA)
where:
Base-Base interactions energy: -35.578
where: short stacking energy: -35.155
Base-Backbone interact. energy: -0.196
local terms energy: -58.500210
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -304.042427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.042427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.042427 (E_RNA)
where:
Base-Base interactions energy: -196.317
where: short stacking energy: -89.864
Base-Backbone interact. energy: -1.034
local terms energy: -106.691063
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -24.079
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -18.976
tors. eta vs tors. theta energy: -24.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -280.835061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.835061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.835061 (E_RNA)
where:
Base-Base interactions energy: -185.674
where: short stacking energy: -95.921
Base-Backbone interact. energy: -0.504
local terms energy: -94.656547
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -24.206
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: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -275.975668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.975668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.975668 (E_RNA)
where:
Base-Base interactions energy: -175.375
where: short stacking energy: -96.780
Base-Backbone interact. energy: 0.900
local terms energy: -101.500522
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -16.711
tors. eta vs tors. theta energy: -24.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -280.722454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.722454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.722454 (E_RNA)
where:
Base-Base interactions energy: -190.367
where: short stacking energy: -74.437
Base-Backbone interact. energy: -0.605
local terms energy: -89.750039
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -24.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -202.555646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.555646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.555646 (E_RNA)
where:
Base-Base interactions energy: -112.059
where: short stacking energy: -78.220
Base-Backbone interact. energy: -0.364
local terms energy: -90.132990
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -19.613
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: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -194.212057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.212057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.212057 (E_RNA)
where:
Base-Base interactions energy: -117.699
where: short stacking energy: -68.484
Base-Backbone interact. energy: -0.148
local terms energy: -76.365662
where:
bonds (distance) C4'-P energy: -20.442
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -10.258
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: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -122.869094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.869094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.869094 (E_RNA)
where:
Base-Base interactions energy: -48.729
where: short stacking energy: -48.729
Base-Backbone interact. energy: -0.156
local terms energy: -73.983829
where:
bonds (distance) C4'-P energy: -21.299
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -140.324403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.324403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.324403 (E_RNA)
where:
Base-Base interactions energy: -58.044
where: short stacking energy: -43.531
Base-Backbone interact. energy: -0.119
local terms energy: -82.160965
where:
bonds (distance) C4'-P energy: -24.455
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -97.079351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.079351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.079351 (E_RNA)
where:
Base-Base interactions energy: -32.817
where: short stacking energy: -18.180
Base-Backbone interact. energy: -0.627
local terms energy: -63.635373
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: 6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -92.276401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.276401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.276401 (E_RNA)
where:
Base-Base interactions energy: -37.130
where: short stacking energy: -23.511
Base-Backbone interact. energy: 2.064
local terms energy: -57.211027
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: 4.757
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -299.914024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.914024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.914024 (E_RNA)
where:
Base-Base interactions energy: -207.157
where: short stacking energy: -87.961
Base-Backbone interact. energy: -0.373
local terms energy: -92.384936
where:
bonds (distance) C4'-P energy: -19.219
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -25.506
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: 2, replica: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -283.830091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.830091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.830091 (E_RNA)
where:
Base-Base interactions energy: -184.298
where: short stacking energy: -84.672
Base-Backbone interact. energy: 1.234
local terms energy: -100.766702
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -25.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -292.122082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.122082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.122082 (E_RNA)
where:
Base-Base interactions energy: -184.072
where: short stacking energy: -88.190
Base-Backbone interact. energy: 1.644
local terms energy: -109.693951
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -23.075
flat angles P-C4'-P energy: -17.616
tors. eta vs tors. theta energy: -23.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -265.159689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.159689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.159689 (E_RNA)
where:
Base-Base interactions energy: -183.902
where: short stacking energy: -77.792
Base-Backbone interact. energy: -0.592
local terms energy: -80.665376
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -19.728
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: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -200.771422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.771422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.771422 (E_RNA)
where:
Base-Base interactions energy: -112.715
where: short stacking energy: -74.076
Base-Backbone interact. energy: -1.304
local terms energy: -86.752431
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -17.637
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: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -186.627521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.627521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.627521 (E_RNA)
where:
Base-Base interactions energy: -105.779
where: short stacking energy: -67.455
Base-Backbone interact. energy: -0.086
local terms energy: -80.762196
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -21.220
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -12.508
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: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -128.701319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.701319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.701319 (E_RNA)
where:
Base-Base interactions energy: -56.112
where: short stacking energy: -50.626
Base-Backbone interact. energy: -0.120
local terms energy: -72.469659
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -9.733
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: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -134.472967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.472967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.472967 (E_RNA)
where:
Base-Base interactions energy: -76.806
where: short stacking energy: -41.042
Base-Backbone interact. energy: -0.593
local terms energy: -57.073664
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: 1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -101.912365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.912365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.912365 (E_RNA)
where:
Base-Base interactions energy: -46.672
where: short stacking energy: -40.975
Base-Backbone interact. energy: -0.266
local terms energy: -54.973845
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -8.906
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -97.361485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.361485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.361485 (E_RNA)
where:
Base-Base interactions energy: -40.670
where: short stacking energy: -36.520
Base-Backbone interact. energy: -0.339
local terms energy: -56.351884
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -4.035
tors. eta vs tors. theta energy: -0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -290.225338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.225338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.225338 (E_RNA)
where:
Base-Base interactions energy: -191.565
where: short stacking energy: -93.959
Base-Backbone interact. energy: -0.037
local terms energy: -98.622670
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -20.920
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -29.602
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: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -306.836119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.836119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.836119 (E_RNA)
where:
Base-Base interactions energy: -205.076
where: short stacking energy: -90.926
Base-Backbone interact. energy: -0.555
local terms energy: -101.205672
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -23.772
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -26.439
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: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -277.479966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.479966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.479966 (E_RNA)
where:
Base-Base interactions energy: -179.058
where: short stacking energy: -91.737
Base-Backbone interact. energy: -0.208
local terms energy: -98.214475
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -28.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -272.018968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.018968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.018968 (E_RNA)
where:
Base-Base interactions energy: -181.683
where: short stacking energy: -88.008
Base-Backbone interact. energy: -0.405
local terms energy: -89.931559
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -21.299
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: 9
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -222.280358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.280358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.280358 (E_RNA)
where:
Base-Base interactions energy: -138.670
where: short stacking energy: -63.237
Base-Backbone interact. energy: -0.433
local terms energy: -83.177267
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -18.786
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -12.157
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: 332
Temperature: 1.150000
Total energy: -185.577229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.577229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.577229 (E_RNA)
where:
Base-Base interactions energy: -97.238
where: short stacking energy: -65.379
Base-Backbone interact. energy: -0.267
local terms energy: -88.071811
where:
bonds (distance) C4'-P energy: -23.905
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -130.250244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.250244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.250244 (E_RNA)
where:
Base-Base interactions energy: -48.801
where: short stacking energy: -48.801
Base-Backbone interact. energy: -0.032
local terms energy: -81.418078
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -13.804
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: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -116.013345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.013345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.013345 (E_RNA)
where:
Base-Base interactions energy: -48.751
where: short stacking energy: -48.635
Base-Backbone interact. energy: 0.578
local terms energy: -67.840664
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -7.501
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: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -116.569158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.569158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.569158 (E_RNA)
where:
Base-Base interactions energy: -49.957
where: short stacking energy: -41.248
Base-Backbone interact. energy: -0.966
local terms energy: -65.646964
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -5.531
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: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -97.334314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.334314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.334314 (E_RNA)
where:
Base-Base interactions energy: -29.509
where: short stacking energy: -26.295
Base-Backbone interact. energy: -0.526
local terms energy: -67.299297
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -293.033112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.033112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.033112 (E_RNA)
where:
Base-Base interactions energy: -190.262
where: short stacking energy: -86.648
Base-Backbone interact. energy: -0.106
local terms energy: -102.665669
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -17.772
tors. eta vs tors. theta energy: -24.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -305.158570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.158570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.158570 (E_RNA)
where:
Base-Base interactions energy: -204.231
where: short stacking energy: -89.850
Base-Backbone interact. energy: -0.746
local terms energy: -100.181718
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -18.491
tors. eta vs tors. theta energy: -23.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -280.537455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.537455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.537455 (E_RNA)
where:
Base-Base interactions energy: -176.646
where: short stacking energy: -78.783
Base-Backbone interact. energy: -0.300
local terms energy: -103.591548
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -25.241
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: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -272.209233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.209233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.209233 (E_RNA)
where:
Base-Base interactions energy: -187.614
where: short stacking energy: -90.659
Base-Backbone interact. energy: 0.027
local terms energy: -84.622570
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -24.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -242.318889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.318889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.318889 (E_RNA)
where:
Base-Base interactions energy: -160.701
where: short stacking energy: -69.553
Base-Backbone interact. energy: -0.131
local terms energy: -81.485927
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -174.411446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.411446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.411446 (E_RNA)
where:
Base-Base interactions energy: -94.596
where: short stacking energy: -42.501
Base-Backbone interact. energy: -0.845
local terms energy: -78.969800
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -6.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -144.460529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.460529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.460529 (E_RNA)
where:
Base-Base interactions energy: -65.901
where: short stacking energy: -61.954
Base-Backbone interact. energy: -0.008
local terms energy: -78.551734
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -19.018
flat angles C4'-P-C4' energy: -21.550
flat angles P-C4'-P energy: -9.279
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: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -110.200899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.200899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.200899 (E_RNA)
where:
Base-Base interactions energy: -40.453
where: short stacking energy: -39.536
Base-Backbone interact. energy: -0.220
local terms energy: -69.528376
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -7.206
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: 9, replica: 1
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -109.174408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.174408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.174408 (E_RNA)
where:
Base-Base interactions energy: -39.684
where: short stacking energy: -39.185
Base-Backbone interact. energy: -0.016
local terms energy: -69.473712
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -106.827469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.827469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.827469 (E_RNA)
where:
Base-Base interactions energy: -44.154
where: short stacking energy: -35.922
Base-Backbone interact. energy: -0.169
local terms energy: -62.504421
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -296.283969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.283969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.283969 (E_RNA)
where:
Base-Base interactions energy: -186.275
where: short stacking energy: -84.561
Base-Backbone interact. energy: -0.462
local terms energy: -109.547023
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -23.115
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -26.276
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: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -294.673155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.673155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.673155 (E_RNA)
where:
Base-Base interactions energy: -195.717
where: short stacking energy: -86.603
Base-Backbone interact. energy: -0.213
local terms energy: -98.742608
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -26.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -283.153172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.153172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.153172 (E_RNA)
where:
Base-Base interactions energy: -187.481
where: short stacking energy: -91.477
Base-Backbone interact. energy: -0.745
local terms energy: -94.927193
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -22.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -275.776147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.776147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.776147 (E_RNA)
where:
Base-Base interactions energy: -189.729
where: short stacking energy: -83.332
Base-Backbone interact. energy: -0.678
local terms energy: -85.368960
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -20.430
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: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -242.476405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.476405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.476405 (E_RNA)
where:
Base-Base interactions energy: -163.226
where: short stacking energy: -82.289
Base-Backbone interact. energy: -0.088
local terms energy: -79.162686
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -1.952
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -184.601440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.601440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.601440 (E_RNA)
where:
Base-Base interactions energy: -104.251
where: short stacking energy: -58.545
Base-Backbone interact. energy: -0.126
local terms energy: -80.224106
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -14.747
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: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -127.819220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.819220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.819220 (E_RNA)
where:
Base-Base interactions energy: -47.647
where: short stacking energy: -33.902
Base-Backbone interact. energy: 0.914
local terms energy: -81.086018
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -10.386
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: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -99.273281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.273281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.273281 (E_RNA)
where:
Base-Base interactions energy: -29.232
where: short stacking energy: -29.232
Base-Backbone interact. energy: -0.182
local terms energy: -69.859523
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -7.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -102.979359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.979359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.979359 (E_RNA)
where:
Base-Base interactions energy: -41.682
where: short stacking energy: -33.383
Base-Backbone interact. energy: -0.451
local terms energy: -60.846291
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -3.171
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: 1
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -101.302664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.302664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.302664 (E_RNA)
where:
Base-Base interactions energy: -42.355
where: short stacking energy: -35.174
Base-Backbone interact. energy: -0.181
local terms energy: -58.766154
where:
bonds (distance) C4'-P energy: -6.823
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -7.847
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -313.546508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.546508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.546508 (E_RNA)
where:
Base-Base interactions energy: -210.915
where: short stacking energy: -103.366
Base-Backbone interact. energy: -0.104
local terms energy: -102.527109
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -20.209
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -29.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -301.776834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.776834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.776834 (E_RNA)
where:
Base-Base interactions energy: -187.307
where: short stacking energy: -99.963
Base-Backbone interact. energy: -0.062
local terms energy: -114.408156
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -23.437
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -28.098
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: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -294.763286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.763286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.763286 (E_RNA)
where:
Base-Base interactions energy: -195.962
where: short stacking energy: -91.588
Base-Backbone interact. energy: -0.240
local terms energy: -98.560590
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -24.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -270.018552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.018552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.018552 (E_RNA)
where:
Base-Base interactions energy: -176.323
where: short stacking energy: -84.750
Base-Backbone interact. energy: -0.047
local terms energy: -93.649063
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -23.879
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -213.690101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.690101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.690101 (E_RNA)
where:
Base-Base interactions energy: -128.857
where: short stacking energy: -61.790
Base-Backbone interact. energy: -0.337
local terms energy: -84.495938
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -191.262255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.262255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.262255 (E_RNA)
where:
Base-Base interactions energy: -100.699
where: short stacking energy: -59.709
Base-Backbone interact. energy: -0.803
local terms energy: -89.759374
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -16.502
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: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -108.793404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.793404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.793404 (E_RNA)
where:
Base-Base interactions energy: -53.574
where: short stacking energy: -28.787
Base-Backbone interact. energy: -0.231
local terms energy: -54.988406
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: 4.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -138.448138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.448138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.448138 (E_RNA)
where:
Base-Base interactions energy: -76.402
where: short stacking energy: -39.870
Base-Backbone interact. energy: -0.532
local terms energy: -61.514645
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -7.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -103.910691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.910691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.910691 (E_RNA)
where:
Base-Base interactions energy: -34.898
where: short stacking energy: -34.355
Base-Backbone interact. energy: 0.440
local terms energy: -69.453382
where:
bonds (distance) C4'-P energy: -20.415
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -15.213
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: 10, replica: 1
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -97.045239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.045239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.045239 (E_RNA)
where:
Base-Base interactions energy: -38.774
where: short stacking energy: -29.897
Base-Backbone interact. energy: -0.314
local terms energy: -57.957538
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: 3.039
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -300.678868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.678868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.678868 (E_RNA)
where:
Base-Base interactions energy: -200.257
where: short stacking energy: -100.882
Base-Backbone interact. energy: -0.156
local terms energy: -100.266636
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -29.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -313.295788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.295788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.295788 (E_RNA)
where:
Base-Base interactions energy: -201.882
where: short stacking energy: -99.302
Base-Backbone interact. energy: -1.247
local terms energy: -110.166453
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -24.511
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -17.405
tors. eta vs tors. theta energy: -26.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -307.237075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.237075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.237075 (E_RNA)
where:
Base-Base interactions energy: -208.600
where: short stacking energy: -83.450
Base-Backbone interact. energy: -1.065
local terms energy: -97.572020
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -24.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -280.293215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.293215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.293215 (E_RNA)
where:
Base-Base interactions energy: -187.510
where: short stacking energy: -81.429
Base-Backbone interact. energy: -1.295
local terms energy: -91.488307
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -23.775
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: 336
Temperature: 1.100000
Total energy: -219.731762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.731762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.731762 (E_RNA)
where:
Base-Base interactions energy: -137.019
where: short stacking energy: -67.508
Base-Backbone interact. energy: -1.593
local terms energy: -81.119654
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -15.446
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: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -208.673529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.673529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.673529 (E_RNA)
where:
Base-Base interactions energy: -132.511
where: short stacking energy: -58.645
Base-Backbone interact. energy: -0.608
local terms energy: -75.555089
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -3.275
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: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -160.984197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.984197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.984197 (E_RNA)
where:
Base-Base interactions energy: -86.621
where: short stacking energy: -45.130
Base-Backbone interact. energy: -0.702
local terms energy: -73.660899
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -21.367
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -12.844
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: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -126.540925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.540925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.540925 (E_RNA)
where:
Base-Base interactions energy: -56.988
where: short stacking energy: -52.461
Base-Backbone interact. energy: -0.041
local terms energy: -69.511705
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -107.902590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.902590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.902590 (E_RNA)
where:
Base-Base interactions energy: -57.279
where: short stacking energy: -47.575
Base-Backbone interact. energy: -0.231
local terms energy: -50.393119
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -114.190097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.190097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.190097 (E_RNA)
where:
Base-Base interactions energy: -57.311
where: short stacking energy: -35.140
Base-Backbone interact. energy: -0.414
local terms energy: -56.464464
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -9.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -294.740930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.740930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.740930 (E_RNA)
where:
Base-Base interactions energy: -192.365
where: short stacking energy: -97.482
Base-Backbone interact. energy: 0.241
local terms energy: -102.617192
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -24.430
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -25.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -298.014861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.014861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.014861 (E_RNA)
where:
Base-Base interactions energy: -190.063
where: short stacking energy: -89.032
Base-Backbone interact. energy: -0.601
local terms energy: -107.350313
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -26.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -297.381906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.381906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.381906 (E_RNA)
where:
Base-Base interactions energy: -199.019
where: short stacking energy: -98.980
Base-Backbone interact. energy: 0.442
local terms energy: -98.805185
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -21.893
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -23.931
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: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -261.883241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.883241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.883241 (E_RNA)
where:
Base-Base interactions energy: -172.457
where: short stacking energy: -77.049
Base-Backbone interact. energy: -0.989
local terms energy: -88.438033
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -24.908
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -15.853
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: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -231.522232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.522232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.522232 (E_RNA)
where:
Base-Base interactions energy: -147.060
where: short stacking energy: -78.541
Base-Backbone interact. energy: -2.009
local terms energy: -82.453562
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -21.143
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: 337
Temperature: 1.150000
Total energy: -216.042041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.042041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.042041 (E_RNA)
where:
Base-Base interactions energy: -135.838
where: short stacking energy: -64.368
Base-Backbone interact. energy: -0.167
local terms energy: -80.036655
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -22.100
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -12.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -158.005314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.005314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.005314 (E_RNA)
where:
Base-Base interactions energy: -75.797
where: short stacking energy: -46.013
Base-Backbone interact. energy: -0.244
local terms energy: -81.964629
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -7.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -143.145072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.145072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.145072 (E_RNA)
where:
Base-Base interactions energy: -75.764
where: short stacking energy: -46.523
Base-Backbone interact. energy: -0.290
local terms energy: -67.091070
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -8.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -108.746398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.746398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.746398 (E_RNA)
where:
Base-Base interactions energy: -45.579
where: short stacking energy: -45.302
Base-Backbone interact. energy: -0.222
local terms energy: -62.945104
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -9.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -101.670662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.670662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.670662 (E_RNA)
where:
Base-Base interactions energy: -43.998
where: short stacking energy: -43.998
Base-Backbone interact. energy: -0.020
local terms energy: -57.652687
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -2.591
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -308.352324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.352324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.352324 (E_RNA)
where:
Base-Base interactions energy: -199.391
where: short stacking energy: -92.083
Base-Backbone interact. energy: -2.228
local terms energy: -106.732879
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -21.442
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -29.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -284.801451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.801451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.801451 (E_RNA)
where:
Base-Base interactions energy: -179.168
where: short stacking energy: -88.278
Base-Backbone interact. energy: -0.019
local terms energy: -105.614074
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -22.318
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -27.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -300.179644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.179644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.179644 (E_RNA)
where:
Base-Base interactions energy: -200.637
where: short stacking energy: -93.719
Base-Backbone interact. energy: -0.334
local terms energy: -99.209182
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -26.975
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: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -258.471305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.471305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.471305 (E_RNA)
where:
Base-Base interactions energy: -170.826
where: short stacking energy: -90.575
Base-Backbone interact. energy: -0.150
local terms energy: -87.495003
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -20.923
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: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -229.512293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.512293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.512293 (E_RNA)
where:
Base-Base interactions energy: -146.379
where: short stacking energy: -62.996
Base-Backbone interact. energy: -0.795
local terms energy: -82.337807
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -12.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -190.356551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.356551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.356551 (E_RNA)
where:
Base-Base interactions energy: -113.302
where: short stacking energy: -73.984
Base-Backbone interact. energy: 0.043
local terms energy: -77.097999
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -16.125
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: 7, replica: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -148.499910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.499910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.499910 (E_RNA)
where:
Base-Base interactions energy: -86.033
where: short stacking energy: -53.132
Base-Backbone interact. energy: -0.232
local terms energy: -62.234385
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -148.853635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.853635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.853635 (E_RNA)
where:
Base-Base interactions energy: -76.101
where: short stacking energy: -39.114
Base-Backbone interact. energy: 0.254
local terms energy: -73.006251
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -6.690
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: 338
Temperature: 1.300000
Total energy: -108.394805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.394805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.394805 (E_RNA)
where:
Base-Base interactions energy: -40.815
where: short stacking energy: -27.829
Base-Backbone interact. energy: 0.044
local terms energy: -67.623950
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -103.325966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.325966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.325966 (E_RNA)
where:
Base-Base interactions energy: -40.746
where: short stacking energy: -20.133
Base-Backbone interact. energy: -0.246
local terms energy: -62.333600
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -5.975
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -302.712358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.712358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.712358 (E_RNA)
where:
Base-Base interactions energy: -193.885
where: short stacking energy: -77.769
Base-Backbone interact. energy: -1.082
local terms energy: -107.745666
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -23.559
flat angles C4'-P-C4' energy: -22.389
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: -22.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -309.544695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.544695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.544695 (E_RNA)
where:
Base-Base interactions energy: -200.815
where: short stacking energy: -95.845
Base-Backbone interact. energy: -0.825
local terms energy: -107.904088
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -24.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -273.118774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.118774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.118774 (E_RNA)
where:
Base-Base interactions energy: -169.194
where: short stacking energy: -87.363
Base-Backbone interact. energy: -0.323
local terms energy: -103.602005
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -20.733
flat angles C4'-P-C4' energy: -22.891
flat angles P-C4'-P energy: -16.541
tors. eta vs tors. theta energy: -23.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -249.976683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.976683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.976683 (E_RNA)
where:
Base-Base interactions energy: -160.062
where: short stacking energy: -78.034
Base-Backbone interact. energy: -0.151
local terms energy: -89.763888
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -18.881
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: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -238.586407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.586407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.586407 (E_RNA)
where:
Base-Base interactions energy: -153.794
where: short stacking energy: -80.136
Base-Backbone interact. energy: 1.408
local terms energy: -86.201255
where:
bonds (distance) C4'-P energy: -18.961
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -14.566
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: 4
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -191.120624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.120624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.120624 (E_RNA)
where:
Base-Base interactions energy: -107.641
where: short stacking energy: -52.261
Base-Backbone interact. energy: -0.063
local terms energy: -83.417031
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -8.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -139.410844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.410844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.410844 (E_RNA)
where:
Base-Base interactions energy: -65.870
where: short stacking energy: -35.024
Base-Backbone interact. energy: -0.506
local terms energy: -73.035293
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -19.423
flat angles P-C4'-P energy: -12.055
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: 8, replica: 2
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -155.108535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.108535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.108535 (E_RNA)
where:
Base-Base interactions energy: -80.405
where: short stacking energy: -56.530
Base-Backbone interact. energy: -0.298
local terms energy: -74.405802
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -12.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -106.479939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.479939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.479939 (E_RNA)
where:
Base-Base interactions energy: -37.480
where: short stacking energy: -37.480
Base-Backbone interact. energy: -0.151
local terms energy: -68.848924
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -99.893077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.893077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.893077 (E_RNA)
where:
Base-Base interactions energy: -36.015
where: short stacking energy: -33.550
Base-Backbone interact. energy: -0.274
local terms energy: -63.604271
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -22.091
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -7.877
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -297.029752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.029752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.029752 (E_RNA)
where:
Base-Base interactions energy: -195.873
where: short stacking energy: -94.413
Base-Backbone interact. energy: -0.181
local terms energy: -100.975824
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -24.120
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: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -302.654346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.654346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.654346 (E_RNA)
where:
Base-Base interactions energy: -197.725
where: short stacking energy: -91.742
Base-Backbone interact. energy: -0.286
local terms energy: -104.642551
where:
bonds (distance) C4'-P energy: -19.305
bonds (distance) P-C4' energy: -23.771
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -25.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -271.894303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.894303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.894303 (E_RNA)
where:
Base-Base interactions energy: -180.198
where: short stacking energy: -87.565
Base-Backbone interact. energy: 0.355
local terms energy: -92.052127
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -275.882444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.882444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.882444 (E_RNA)
where:
Base-Base interactions energy: -177.059
where: short stacking energy: -83.573
Base-Backbone interact. energy: -0.124
local terms energy: -98.698777
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -16.976
tors. eta vs tors. theta energy: -26.218
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: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -239.370353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.370353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.370353 (E_RNA)
where:
Base-Base interactions energy: -150.901
where: short stacking energy: -76.734
Base-Backbone interact. energy: -1.164
local terms energy: -87.305696
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -187.404753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.404753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.404753 (E_RNA)
where:
Base-Base interactions energy: -97.613
where: short stacking energy: -65.521
Base-Backbone interact. energy: -0.240
local terms energy: -89.551790
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -21.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -137.412081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.412081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.412081 (E_RNA)
where:
Base-Base interactions energy: -63.531
where: short stacking energy: -34.184
Base-Backbone interact. energy: -0.196
local terms energy: -73.684908
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -0.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -122.906688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.906688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.906688 (E_RNA)
where:
Base-Base interactions energy: -62.498
where: short stacking energy: -35.299
Base-Backbone interact. energy: -0.089
local terms energy: -60.319719
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -12.742
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: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -109.807950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.807950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.807950 (E_RNA)
where:
Base-Base interactions energy: -41.658
where: short stacking energy: -33.984
Base-Backbone interact. energy: -0.337
local terms energy: -67.812295
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -98.795954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.795954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.795954 (E_RNA)
where:
Base-Base interactions energy: -41.386
where: short stacking energy: -41.386
Base-Backbone interact. energy: -0.217
local terms energy: -57.193077
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -1.234
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -295.911049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.911049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.911049 (E_RNA)
where:
Base-Base interactions energy: -198.342
where: short stacking energy: -93.129
Base-Backbone interact. energy: -0.086
local terms energy: -97.483038
where:
bonds (distance) C4'-P energy: -20.842
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -24.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -301.795901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.795901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.795901 (E_RNA)
where:
Base-Base interactions energy: -200.942
where: short stacking energy: -91.331
Base-Backbone interact. energy: -2.796
local terms energy: -98.058083
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -20.511
tors. eta vs tors. theta energy: -25.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -265.936104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.936104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.936104 (E_RNA)
where:
Base-Base interactions energy: -177.075
where: short stacking energy: -81.684
Base-Backbone interact. energy: -0.315
local terms energy: -88.546782
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -23.017
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -17.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -271.150122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.150122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.150122 (E_RNA)
where:
Base-Base interactions energy: -178.541
where: short stacking energy: -81.012
Base-Backbone interact. energy: -0.667
local terms energy: -91.942221
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -22.788
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: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -237.826257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.826257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.826257 (E_RNA)
where:
Base-Base interactions energy: -148.302
where: short stacking energy: -83.186
Base-Backbone interact. energy: -0.120
local terms energy: -89.404357
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -198.239170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.239170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.239170 (E_RNA)
where:
Base-Base interactions energy: -113.848
where: short stacking energy: -72.253
Base-Backbone interact. energy: -0.027
local terms energy: -84.364484
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -169.601909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.601909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.601909 (E_RNA)
where:
Base-Base interactions energy: -88.131
where: short stacking energy: -48.868
Base-Backbone interact. energy: -0.024
local terms energy: -81.446965
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -11.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -110.789832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.789832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.789832 (E_RNA)
where:
Base-Base interactions energy: -47.146
where: short stacking energy: -36.290
Base-Backbone interact. energy: -1.331
local terms energy: -62.312627
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -2.683
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: 9, replica: 2
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -100.062535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.062535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.062535 (E_RNA)
where:
Base-Base interactions energy: -43.038
where: short stacking energy: -35.431
Base-Backbone interact. energy: -1.196
local terms energy: -55.828384
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -102.042922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.042922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.042922 (E_RNA)
where:
Base-Base interactions energy: -47.599
where: short stacking energy: -37.745
Base-Backbone interact. energy: -0.239
local terms energy: -54.205674
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: 4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -294.216704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.216704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.216704 (E_RNA)
where:
Base-Base interactions energy: -199.997
where: short stacking energy: -89.355
Base-Backbone interact. energy: -1.124
local terms energy: -93.095860
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -23.020
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -300.132652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.132652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.132652 (E_RNA)
where:
Base-Base interactions energy: -197.644
where: short stacking energy: -89.204
Base-Backbone interact. energy: -0.026
local terms energy: -102.462622
where:
bonds (distance) C4'-P energy: -21.913
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -24.953
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: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -270.138646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.138646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.138646 (E_RNA)
where:
Base-Base interactions energy: -176.703
where: short stacking energy: -90.424
Base-Backbone interact. energy: -0.452
local terms energy: -92.983112
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -15.121
tors. eta vs tors. theta energy: -24.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -231.495887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.495887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.495887 (E_RNA)
where:
Base-Base interactions energy: -152.166
where: short stacking energy: -64.435
Base-Backbone interact. energy: -0.073
local terms energy: -79.257143
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -11.261
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: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -200.284218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.284218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.284218 (E_RNA)
where:
Base-Base interactions energy: -117.457
where: short stacking energy: -64.930
Base-Backbone interact. energy: 0.007
local terms energy: -82.833621
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -21.671
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -13.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -220.822858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.822858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.822858 (E_RNA)
where:
Base-Base interactions energy: -139.637
where: short stacking energy: -52.999
Base-Backbone interact. energy: -0.865
local terms energy: -80.321036
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -12.523
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: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -173.470662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.470662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.470662 (E_RNA)
where:
Base-Base interactions energy: -97.785
where: short stacking energy: -56.024
Base-Backbone interact. energy: 0.703
local terms energy: -76.388639
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -9.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -99.745190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.745190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.745190 (E_RNA)
where:
Base-Base interactions energy: -35.647
where: short stacking energy: -30.338
Base-Backbone interact. energy: -0.359
local terms energy: -63.739104
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -1.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -121.847127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.847127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.847127 (E_RNA)
where:
Base-Base interactions energy: -54.603
where: short stacking energy: -31.204
Base-Backbone interact. energy: -0.744
local terms energy: -66.500113
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -0.705
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: 10, replica: 2
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -99.718155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.718155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.718155 (E_RNA)
where:
Base-Base interactions energy: -48.211
where: short stacking energy: -42.250
Base-Backbone interact. energy: -0.318
local terms energy: -51.188811
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: 0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -305.990634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.990634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.990634 (E_RNA)
where:
Base-Base interactions energy: -200.642
where: short stacking energy: -99.713
Base-Backbone interact. energy: 0.225
local terms energy: -105.573827
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -17.022
tors. eta vs tors. theta energy: -26.761
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: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -292.203079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.203079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.203079 (E_RNA)
where:
Base-Base interactions energy: -179.516
where: short stacking energy: -94.849
Base-Backbone interact. energy: -0.128
local terms energy: -112.558584
where:
bonds (distance) C4'-P energy: -21.901
bonds (distance) P-C4' energy: -23.845
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -29.980
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: 6
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -290.687674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.687674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.687674 (E_RNA)
where:
Base-Base interactions energy: -191.221
where: short stacking energy: -93.265
Base-Backbone interact. energy: 0.306
local terms energy: -99.772063
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -18.814
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -26.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -253.169567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.169567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.169567 (E_RNA)
where:
Base-Base interactions energy: -163.260
where: short stacking energy: -77.578
Base-Backbone interact. energy: -0.253
local terms energy: -89.656781
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -16.131
tors. eta vs tors. theta energy: -15.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -187.533129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.533129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.533129 (E_RNA)
where:
Base-Base interactions energy: -102.140
where: short stacking energy: -71.967
Base-Backbone interact. energy: -1.264
local terms energy: -84.129876
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -19.682
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: 343
Temperature: 1.150000
Total energy: -218.050524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.050524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.050524 (E_RNA)
where:
Base-Base interactions energy: -136.211
where: short stacking energy: -65.447
Base-Backbone interact. energy: -0.124
local terms energy: -81.716022
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -14.453
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: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -162.864568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.864568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.864568 (E_RNA)
where:
Base-Base interactions energy: -90.523
where: short stacking energy: -53.099
Base-Backbone interact. energy: 0.434
local terms energy: -72.775530
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -19.975
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -6.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -129.805319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.805319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.805319 (E_RNA)
where:
Base-Base interactions energy: -57.653
where: short stacking energy: -46.205
Base-Backbone interact. energy: -0.498
local terms energy: -71.654388
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -8.328
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: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -103.389116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.389116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.389116 (E_RNA)
where:
Base-Base interactions energy: -42.089
where: short stacking energy: -38.118
Base-Backbone interact. energy: -0.021
local terms energy: -61.278965
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -89.433763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.433763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.433763 (E_RNA)
where:
Base-Base interactions energy: -29.309
where: short stacking energy: -28.519
Base-Backbone interact. energy: -0.450
local terms energy: -59.674656
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: 1.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -297.027602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.027602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.027602 (E_RNA)
where:
Base-Base interactions energy: -197.661
where: short stacking energy: -97.009
Base-Backbone interact. energy: -0.617
local terms energy: -98.749536
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -21.893
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -24.578
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: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -297.080871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.080871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.080871 (E_RNA)
where:
Base-Base interactions energy: -199.682
where: short stacking energy: -90.636
Base-Backbone interact. energy: -1.282
local terms energy: -96.116837
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -21.345
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -21.084
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: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -295.736713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.736713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.736713 (E_RNA)
where:
Base-Base interactions energy: -199.156
where: short stacking energy: -88.816
Base-Backbone interact. energy: -1.229
local terms energy: -95.351423
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -24.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -245.557609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.557609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.557609 (E_RNA)
where:
Base-Base interactions energy: -154.635
where: short stacking energy: -88.301
Base-Backbone interact. energy: -0.826
local terms energy: -90.096688
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -22.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -241.252175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.252175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.252175 (E_RNA)
where:
Base-Base interactions energy: -148.892
where: short stacking energy: -67.973
Base-Backbone interact. energy: -0.339
local terms energy: -92.021426
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -9.975
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: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -183.811575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.811575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.811575 (E_RNA)
where:
Base-Base interactions energy: -93.660
where: short stacking energy: -64.115
Base-Backbone interact. energy: -0.855
local terms energy: -89.296535
where:
bonds (distance) C4'-P energy: -21.838
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -119.825684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.825684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.825684 (E_RNA)
where:
Base-Base interactions energy: -46.104
where: short stacking energy: -37.950
Base-Backbone interact. energy: 0.812
local terms energy: -74.534036
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -4.340
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: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -169.634522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.634522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.634522 (E_RNA)
where:
Base-Base interactions energy: -95.146
where: short stacking energy: -46.292
Base-Backbone interact. energy: 4.535
local terms energy: -79.023145
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -11.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -114.346802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.346802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.346802 (E_RNA)
where:
Base-Base interactions energy: -49.393
where: short stacking energy: -35.224
Base-Backbone interact. energy: -0.580
local terms energy: -64.373895
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -21.448
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: 2.354
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: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -116.165061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.165061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.165061 (E_RNA)
where:
Base-Base interactions energy: -46.662
where: short stacking energy: -34.712
Base-Backbone interact. energy: -1.575
local terms energy: -67.928108
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -18.810
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -11.208
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -290.560471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.560471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.560471 (E_RNA)
where:
Base-Base interactions energy: -189.291
where: short stacking energy: -98.946
Base-Backbone interact. energy: -0.020
local terms energy: -101.249297
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -24.203
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: 6
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -300.441765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.441765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.441765 (E_RNA)
where:
Base-Base interactions energy: -198.142
where: short stacking energy: -100.200
Base-Backbone interact. energy: -0.065
local terms energy: -102.234880
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -23.992
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -25.093
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: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -294.078978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.078978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.078978 (E_RNA)
where:
Base-Base interactions energy: -194.199
where: short stacking energy: -80.854
Base-Backbone interact. energy: -1.177
local terms energy: -98.702795
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -24.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -251.101840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.101840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.101840 (E_RNA)
where:
Base-Base interactions energy: -154.006
where: short stacking energy: -75.593
Base-Backbone interact. energy: -1.200
local terms energy: -95.895755
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -21.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -228.237597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.237597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.237597 (E_RNA)
where:
Base-Base interactions energy: -143.642
where: short stacking energy: -78.300
Base-Backbone interact. energy: -0.699
local terms energy: -83.896536
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -23.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -188.549200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.549200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.549200 (E_RNA)
where:
Base-Base interactions energy: -108.326
where: short stacking energy: -58.011
Base-Backbone interact. energy: 0.269
local terms energy: -80.492508
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -11.580
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: 7, replica: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -130.185898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.185898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.185898 (E_RNA)
where:
Base-Base interactions energy: -61.997
where: short stacking energy: -51.786
Base-Backbone interact. energy: -0.211
local terms energy: -67.978064
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -1.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -173.556987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.556987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.556987 (E_RNA)
where:
Base-Base interactions energy: -99.830
where: short stacking energy: -46.802
Base-Backbone interact. energy: -0.296
local terms energy: -73.430213
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -10.638
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: 2
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -108.491736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.491736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.491736 (E_RNA)
where:
Base-Base interactions energy: -56.809
where: short stacking energy: -32.108
Base-Backbone interact. energy: -1.271
local terms energy: -50.411069
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -8.745
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: 2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -106.708905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.708905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.708905 (E_RNA)
where:
Base-Base interactions energy: -47.520
where: short stacking energy: -38.270
Base-Backbone interact. energy: -0.106
local terms energy: -59.083620
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -11.264
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -300.602006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.602006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.602006 (E_RNA)
where:
Base-Base interactions energy: -194.131
where: short stacking energy: -85.417
Base-Backbone interact. energy: -0.430
local terms energy: -106.041108
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: -27.553
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: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -281.402483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.402483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.402483 (E_RNA)
where:
Base-Base interactions energy: -188.594
where: short stacking energy: -89.623
Base-Backbone interact. energy: -1.517
local terms energy: -91.291261
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -15.299
tors. eta vs tors. theta energy: -23.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -256.077874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.077874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.077874 (E_RNA)
where:
Base-Base interactions energy: -169.232
where: short stacking energy: -78.169
Base-Backbone interact. energy: -0.325
local terms energy: -86.521083
where:
bonds (distance) C4'-P energy: -23.512
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -291.075508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.075508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.075508 (E_RNA)
where:
Base-Base interactions energy: -196.506
where: short stacking energy: -87.647
Base-Backbone interact. energy: -0.134
local terms energy: -94.435395
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -20.718
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -23.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -225.060858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.060858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.060858 (E_RNA)
where:
Base-Base interactions energy: -144.716
where: short stacking energy: -58.999
Base-Backbone interact. energy: -0.253
local terms energy: -80.091069
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -13.050
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: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -176.928793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.928793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.928793 (E_RNA)
where:
Base-Base interactions energy: -96.807
where: short stacking energy: -50.823
Base-Backbone interact. energy: 1.230
local terms energy: -81.351685
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -8.689
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: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -180.228218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.228218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.228218 (E_RNA)
where:
Base-Base interactions energy: -103.343
where: short stacking energy: -54.351
Base-Backbone interact. energy: -0.018
local terms energy: -76.867097
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -24.893
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -9.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -111.839212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.839212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.839212 (E_RNA)
where:
Base-Base interactions energy: -51.069
where: short stacking energy: -42.476
Base-Backbone interact. energy: -1.078
local terms energy: -59.692173
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -19.071
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: 2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -107.517680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.517680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.517680 (E_RNA)
where:
Base-Base interactions energy: -34.795
where: short stacking energy: -32.274
Base-Backbone interact. energy: -0.237
local terms energy: -72.485453
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -9.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -101.709875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.709875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.709875 (E_RNA)
where:
Base-Base interactions energy: -34.296
where: short stacking energy: -32.366
Base-Backbone interact. energy: -0.173
local terms energy: -67.240745
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -300.623332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.623332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.623332 (E_RNA)
where:
Base-Base interactions energy: -197.485
where: short stacking energy: -90.999
Base-Backbone interact. energy: 0.489
local terms energy: -103.627141
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: -28.912
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: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -261.692590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.692590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.692590 (E_RNA)
where:
Base-Base interactions energy: -165.730
where: short stacking energy: -80.116
Base-Backbone interact. energy: -0.699
local terms energy: -95.263305
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -22.596
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -18.698
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: 347
Temperature: 1.000000
Total energy: -281.254309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.254309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.254309 (E_RNA)
where:
Base-Base interactions energy: -176.892
where: short stacking energy: -90.064
Base-Backbone interact. energy: -0.100
local terms energy: -104.262342
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -28.230
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: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -283.082517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.082517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.082517 (E_RNA)
where:
Base-Base interactions energy: -188.130
where: short stacking energy: -80.544
Base-Backbone interact. energy: -0.761
local terms energy: -94.191910
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -23.414
flat angles C4'-P-C4' energy: -19.492
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -20.499
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: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -215.110931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.110931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.110931 (E_RNA)
where:
Base-Base interactions energy: -131.082
where: short stacking energy: -81.438
Base-Backbone interact. energy: -0.224
local terms energy: -83.805111
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -22.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -193.891525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.891525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.891525 (E_RNA)
where:
Base-Base interactions energy: -110.989
where: short stacking energy: -64.679
Base-Backbone interact. energy: -0.292
local terms energy: -82.610779
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -19.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -164.102497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.102497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.102497 (E_RNA)
where:
Base-Base interactions energy: -90.444
where: short stacking energy: -41.807
Base-Backbone interact. energy: -0.401
local terms energy: -73.257049
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -111.728108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.728108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.728108 (E_RNA)
where:
Base-Base interactions energy: -38.183
where: short stacking energy: -37.931
Base-Backbone interact. energy: -0.308
local terms energy: -73.236312
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -115.262963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.262963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.262963 (E_RNA)
where:
Base-Base interactions energy: -46.538
where: short stacking energy: -37.374
Base-Backbone interact. energy: -0.570
local terms energy: -68.154624
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -22.610
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -4.191
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: 10, replica: 2
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -111.224636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.224636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.224636 (E_RNA)
where:
Base-Base interactions energy: -41.285
where: short stacking energy: -38.669
Base-Backbone interact. energy: -0.010
local terms energy: -69.928960
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -306.881591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.881591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.881591 (E_RNA)
where:
Base-Base interactions energy: -199.300
where: short stacking energy: -93.037
Base-Backbone interact. energy: -1.797
local terms energy: -105.784761
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -19.004
tors. eta vs tors. theta energy: -28.504
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: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -253.517333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.517333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.517333 (E_RNA)
where:
Base-Base interactions energy: -167.019
where: short stacking energy: -76.661
Base-Backbone interact. energy: -0.769
local terms energy: -85.729520
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -21.067
flat angles P-C4'-P energy: -7.243
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: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -270.878865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.878865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.878865 (E_RNA)
where:
Base-Base interactions energy: -175.791
where: short stacking energy: -71.736
Base-Backbone interact. energy: -1.874
local terms energy: -93.213997
where:
bonds (distance) C4'-P energy: -19.305
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -18.380
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: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -278.321477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.321477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.321477 (E_RNA)
where:
Base-Base interactions energy: -181.120
where: short stacking energy: -87.503
Base-Backbone interact. energy: -0.095
local terms energy: -97.106748
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -21.892
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: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -187.569151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.569151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.569151 (E_RNA)
where:
Base-Base interactions energy: -112.645
where: short stacking energy: -58.867
Base-Backbone interact. energy: -0.604
local terms energy: -74.320539
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -12.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -181.591570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.591570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.591570 (E_RNA)
where:
Base-Base interactions energy: -107.631
where: short stacking energy: -60.413
Base-Backbone interact. energy: 0.642
local terms energy: -74.602298
where:
bonds (distance) C4'-P energy: -20.365
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -10.273
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: 7, replica: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -136.643495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.643495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.643495 (E_RNA)
where:
Base-Base interactions energy: -71.109
where: short stacking energy: -45.965
Base-Backbone interact. energy: -0.270
local terms energy: -65.264805
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -6.860
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: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -139.128529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.128529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.128529 (E_RNA)
where:
Base-Base interactions energy: -68.409
where: short stacking energy: -52.522
Base-Backbone interact. energy: -0.168
local terms energy: -70.551106
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -9.792
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: 9, replica: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -99.914177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.914177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.914177 (E_RNA)
where:
Base-Base interactions energy: -36.729
where: short stacking energy: -34.911
Base-Backbone interact. energy: -0.302
local terms energy: -62.883663
where:
bonds (distance) C4'-P energy: -18.961
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -3.348
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: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -110.679341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.679341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.679341 (E_RNA)
where:
Base-Base interactions energy: -40.581
where: short stacking energy: -40.581
Base-Backbone interact. energy: -0.063
local terms energy: -70.035039
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -8.113
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -300.489553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.489553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.489553 (E_RNA)
where:
Base-Base interactions energy: -192.093
where: short stacking energy: -91.534
Base-Backbone interact. energy: -0.756
local terms energy: -107.640643
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: -26.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -285.595871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.595871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.595871 (E_RNA)
where:
Base-Base interactions energy: -182.971
where: short stacking energy: -82.305
Base-Backbone interact. energy: -0.723
local terms energy: -101.902190
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -22.497
flat angles P-C4'-P energy: -14.780
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: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -237.862371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.862371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.862371 (E_RNA)
where:
Base-Base interactions energy: -151.776
where: short stacking energy: -70.566
Base-Backbone interact. energy: -0.822
local terms energy: -85.264428
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -19.515
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -16.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -277.106953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.106953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.106953 (E_RNA)
where:
Base-Base interactions energy: -177.804
where: short stacking energy: -80.574
Base-Backbone interact. energy: 0.919
local terms energy: -100.222367
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -23.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -229.997549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.997549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.997549 (E_RNA)
where:
Base-Base interactions energy: -132.245
where: short stacking energy: -83.235
Base-Backbone interact. energy: -0.092
local terms energy: -97.659914
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -19.670
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -24.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -197.531315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.531315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.531315 (E_RNA)
where:
Base-Base interactions energy: -111.653
where: short stacking energy: -66.940
Base-Backbone interact. energy: -0.115
local terms energy: -85.762926
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -11.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -159.283489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.283489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.283489 (E_RNA)
where:
Base-Base interactions energy: -81.601
where: short stacking energy: -52.974
Base-Backbone interact. energy: -0.462
local terms energy: -77.220121
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -18.191
tors. eta vs tors. theta energy: -10.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -116.010906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.010906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.010906 (E_RNA)
where:
Base-Base interactions energy: -44.312
where: short stacking energy: -38.946
Base-Backbone interact. energy: 0.236
local terms energy: -71.935173
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -4.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -104.662220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.662220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.662220 (E_RNA)
where:
Base-Base interactions energy: -43.365
where: short stacking energy: -38.738
Base-Backbone interact. energy: 0.390
local terms energy: -61.686947
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -4.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -94.240909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.240909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.240909 (E_RNA)
where:
Base-Base interactions energy: -29.506
where: short stacking energy: -18.998
Base-Backbone interact. energy: -0.559
local terms energy: -64.175383
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -2.141
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -296.045346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.045346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.045346 (E_RNA)
where:
Base-Base interactions energy: -190.966
where: short stacking energy: -82.369
Base-Backbone interact. energy: -0.920
local terms energy: -104.159393
where:
bonds (distance) C4'-P energy: -21.859
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -17.515
tors. eta vs tors. theta energy: -23.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -303.956370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.956370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.956370 (E_RNA)
where:
Base-Base interactions energy: -191.371
where: short stacking energy: -93.674
Base-Backbone interact. energy: -0.250
local terms energy: -112.335381
where:
bonds (distance) C4'-P energy: -20.484
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -16.532
tors. eta vs tors. theta energy: -30.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -270.997598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.997598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.997598 (E_RNA)
where:
Base-Base interactions energy: -177.897
where: short stacking energy: -93.452
Base-Backbone interact. energy: -0.005
local terms energy: -93.095486
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -212.337490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.337490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.337490 (E_RNA)
where:
Base-Base interactions energy: -134.850
where: short stacking energy: -61.289
Base-Backbone interact. energy: 0.141
local terms energy: -77.628383
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -22.261
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -7.972
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: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -208.159503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.159503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.159503 (E_RNA)
where:
Base-Base interactions energy: -115.005
where: short stacking energy: -68.313
Base-Backbone interact. energy: -1.893
local terms energy: -91.260689
where:
bonds (distance) C4'-P energy: -19.161
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -21.122
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -194.411962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.411962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.411962 (E_RNA)
where:
Base-Base interactions energy: -106.519
where: short stacking energy: -64.604
Base-Backbone interact. energy: 0.629
local terms energy: -88.521532
where:
bonds (distance) C4'-P energy: -23.806
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -15.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -156.874712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.874712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.874712 (E_RNA)
where:
Base-Base interactions energy: -85.233
where: short stacking energy: -45.288
Base-Backbone interact. energy: 0.584
local terms energy: -72.226169
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -114.793442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.793442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.793442 (E_RNA)
where:
Base-Base interactions energy: -49.531
where: short stacking energy: -49.531
Base-Backbone interact. energy: -0.049
local terms energy: -65.213217
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -115.780212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.780212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.780212 (E_RNA)
where:
Base-Base interactions energy: -40.452
where: short stacking energy: -40.552
Base-Backbone interact. energy: -0.586
local terms energy: -74.742331
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -23.421
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -6.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -109.553772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.553772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.553772 (E_RNA)
where:
Base-Base interactions energy: -44.489
where: short stacking energy: -29.478
Base-Backbone interact. energy: -0.949
local terms energy: -64.115958
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: 2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -299.943299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.943299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.943299 (E_RNA)
where:
Base-Base interactions energy: -191.690
where: short stacking energy: -82.324
Base-Backbone interact. energy: -0.902
local terms energy: -107.351172
where:
bonds (distance) C4'-P energy: -24.269
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -22.368
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -23.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -297.456278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.456278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.456278 (E_RNA)
where:
Base-Base interactions energy: -191.892
where: short stacking energy: -94.661
Base-Backbone interact. energy: -0.804
local terms energy: -104.760474
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -16.954
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -268.310322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.310322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.310322 (E_RNA)
where:
Base-Base interactions energy: -168.639
where: short stacking energy: -79.488
Base-Backbone interact. energy: -1.559
local terms energy: -98.112942
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -19.015
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: 4, replica: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -239.227488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.227488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.227488 (E_RNA)
where:
Base-Base interactions energy: -153.314
where: short stacking energy: -75.750
Base-Backbone interact. energy: -1.281
local terms energy: -84.633102
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -15.102
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: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -208.157425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.157425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.157425 (E_RNA)
where:
Base-Base interactions energy: -126.351
where: short stacking energy: -76.386
Base-Backbone interact. energy: -0.088
local terms energy: -81.718738
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -186.742338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.742338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.742338 (E_RNA)
where:
Base-Base interactions energy: -119.983
where: short stacking energy: -52.153
Base-Backbone interact. energy: -1.434
local terms energy: -65.325997
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -10.709
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: 7, replica: 7
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -119.150849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.150849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.150849 (E_RNA)
where:
Base-Base interactions energy: -62.942
where: short stacking energy: -40.677
Base-Backbone interact. energy: -1.627
local terms energy: -54.582410
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -106.516020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.516020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.516020 (E_RNA)
where:
Base-Base interactions energy: -40.761
where: short stacking energy: -40.761
Base-Backbone interact. energy: -0.650
local terms energy: -65.104716
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -11.934
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: 9, replica: 2
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -99.175549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.175549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.175549 (E_RNA)
where:
Base-Base interactions energy: -39.842
where: short stacking energy: -36.069
Base-Backbone interact. energy: -0.577
local terms energy: -58.756312
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -19.590
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: 0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -95.072343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.072343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.072343 (E_RNA)
where:
Base-Base interactions energy: -31.592
where: short stacking energy: -31.457
Base-Backbone interact. energy: -0.132
local terms energy: -63.348224
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -12.425
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -307.718180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.718180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.718180 (E_RNA)
where:
Base-Base interactions energy: -205.273
where: short stacking energy: -100.618
Base-Backbone interact. energy: 2.073
local terms energy: -104.518267
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -21.122
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -25.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -303.208390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.208390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.208390 (E_RNA)
where:
Base-Base interactions energy: -200.898
where: short stacking energy: -84.035
Base-Backbone interact. energy: -0.239
local terms energy: -102.071348
where:
bonds (distance) C4'-P energy: -22.518
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -31.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -268.269319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.269319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.269319 (E_RNA)
where:
Base-Base interactions energy: -165.416
where: short stacking energy: -85.897
Base-Backbone interact. energy: -0.011
local terms energy: -102.842392
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -21.793
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -25.566
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: 9
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -245.046138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.046138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.046138 (E_RNA)
where:
Base-Base interactions energy: -154.238
where: short stacking energy: -79.470
Base-Backbone interact. energy: -0.169
local terms energy: -90.638401
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -207.845753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.845753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.845753 (E_RNA)
where:
Base-Base interactions energy: -120.226
where: short stacking energy: -68.804
Base-Backbone interact. energy: -0.550
local terms energy: -87.069882
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -12.420
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: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -198.970655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.970655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.970655 (E_RNA)
where:
Base-Base interactions energy: -108.663
where: short stacking energy: -63.143
Base-Backbone interact. energy: 0.826
local terms energy: -91.133370
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -23.132
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -11.178
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: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -133.702962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.702962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.702962 (E_RNA)
where:
Base-Base interactions energy: -59.641
where: short stacking energy: -58.045
Base-Backbone interact. energy: -0.002
local terms energy: -74.059604
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -5.865
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: 352
Temperature: 1.250000
Total energy: -120.472017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.472017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.472017 (E_RNA)
where:
Base-Base interactions energy: -55.594
where: short stacking energy: -31.706
Base-Backbone interact. energy: -0.425
local terms energy: -64.452932
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -114.456267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.456267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.456267 (E_RNA)
where:
Base-Base interactions energy: -49.749
where: short stacking energy: -45.025
Base-Backbone interact. energy: -0.096
local terms energy: -64.611169
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -8.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -100.703549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.703549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.703549 (E_RNA)
where:
Base-Base interactions energy: -30.471
where: short stacking energy: -29.918
Base-Backbone interact. energy: -0.909
local terms energy: -69.324090
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -20.413
flat angles P-C4'-P energy: -5.252
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -317.643131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.643131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.643131 (E_RNA)
where:
Base-Base interactions energy: -215.079
where: short stacking energy: -96.023
Base-Backbone interact. energy: -0.109
local terms energy: -102.454454
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -17.835
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -16.324
tors. eta vs tors. theta energy: -25.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -282.771422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.771422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.771422 (E_RNA)
where:
Base-Base interactions energy: -179.736
where: short stacking energy: -91.657
Base-Backbone interact. energy: 0.703
local terms energy: -103.738587
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -26.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -292.277199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.277199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.277199 (E_RNA)
where:
Base-Base interactions energy: -190.203
where: short stacking energy: -84.841
Base-Backbone interact. energy: -1.397
local terms energy: -100.676692
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -23.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -246.841623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.841623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.841623 (E_RNA)
where:
Base-Base interactions energy: -155.921
where: short stacking energy: -71.127
Base-Backbone interact. energy: -2.271
local terms energy: -88.649007
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -22.755
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -13.984
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: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -237.492452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.492452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.492452 (E_RNA)
where:
Base-Base interactions energy: -157.111
where: short stacking energy: -77.883
Base-Backbone interact. energy: -1.049
local terms energy: -79.332422
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -21.503
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -22.463
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: 353
Temperature: 1.150000
Total energy: -190.495408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.495408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.495408 (E_RNA)
where:
Base-Base interactions energy: -112.412
where: short stacking energy: -65.008
Base-Backbone interact. energy: -0.624
local terms energy: -77.459503
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -13.399
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: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -135.306311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.306311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.306311 (E_RNA)
where:
Base-Base interactions energy: -66.499
where: short stacking energy: -52.611
Base-Backbone interact. energy: -0.224
local terms energy: -68.582932
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -112.584449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.584449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.584449 (E_RNA)
where:
Base-Base interactions energy: -49.635
where: short stacking energy: -43.362
Base-Backbone interact. energy: -0.470
local terms energy: -62.479361
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -8.799
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: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -108.439485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.439485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.439485 (E_RNA)
where:
Base-Base interactions energy: -44.956
where: short stacking energy: -44.956
Base-Backbone interact. energy: -0.075
local terms energy: -63.409102
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -15.508
tors. eta vs tors. theta energy: -1.996
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: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -96.129732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.129732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.129732 (E_RNA)
where:
Base-Base interactions energy: -39.571
where: short stacking energy: -39.341
Base-Backbone interact. energy: -0.045
local terms energy: -56.513452
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -5.036
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -310.069575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.069575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.069575 (E_RNA)
where:
Base-Base interactions energy: -208.480
where: short stacking energy: -87.534
Base-Backbone interact. energy: -0.255
local terms energy: -101.334288
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: -23.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -283.627295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.627295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.627295 (E_RNA)
where:
Base-Base interactions energy: -186.213
where: short stacking energy: -87.417
Base-Backbone interact. energy: 0.383
local terms energy: -97.797328
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -19.332
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -21.273
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: 354
Temperature: 1.000000
Total energy: -296.224608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.224608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.224608 (E_RNA)
where:
Base-Base interactions energy: -199.083
where: short stacking energy: -90.231
Base-Backbone interact. energy: -0.930
local terms energy: -96.211471
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -23.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -230.895621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.895621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.895621 (E_RNA)
where:
Base-Base interactions energy: -150.479
where: short stacking energy: -76.593
Base-Backbone interact. energy: -0.840
local terms energy: -79.577191
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -15.069
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: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -207.839833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.839833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.839833 (E_RNA)
where:
Base-Base interactions energy: -113.678
where: short stacking energy: -70.069
Base-Backbone interact. energy: -0.069
local terms energy: -94.092489
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -22.809
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -18.808
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: 354
Temperature: 1.150000
Total energy: -221.620822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.620822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.620822 (E_RNA)
where:
Base-Base interactions energy: -145.038
where: short stacking energy: -68.796
Base-Backbone interact. energy: -0.269
local terms energy: -76.313202
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -13.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -122.565959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.565959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.565959 (E_RNA)
where:
Base-Base interactions energy: -52.393
where: short stacking energy: -47.189
Base-Backbone interact. energy: -0.239
local terms energy: -69.934026
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -102.000352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.000352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.000352 (E_RNA)
where:
Base-Base interactions energy: -42.216
where: short stacking energy: -35.145
Base-Backbone interact. energy: 0.095
local terms energy: -59.880128
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -101.386563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.386563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.386563 (E_RNA)
where:
Base-Base interactions energy: -41.553
where: short stacking energy: -41.553
Base-Backbone interact. energy: 0.499
local terms energy: -60.332406
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -6.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -103.247318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.247318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.247318 (E_RNA)
where:
Base-Base interactions energy: -41.874
where: short stacking energy: -28.331
Base-Backbone interact. energy: 0.392
local terms energy: -61.765268
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: 0.154
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -299.948699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.948699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.948699 (E_RNA)
where:
Base-Base interactions energy: -203.787
where: short stacking energy: -89.768
Base-Backbone interact. energy: 0.062
local terms energy: -96.223511
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -22.079
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -24.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -298.691031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.691031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.691031 (E_RNA)
where:
Base-Base interactions energy: -197.960
where: short stacking energy: -86.361
Base-Backbone interact. energy: -0.162
local terms energy: -100.569700
where:
bonds (distance) C4'-P energy: -21.590
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -25.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -281.754125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.754125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.754125 (E_RNA)
where:
Base-Base interactions energy: -181.239
where: short stacking energy: -100.253
Base-Backbone interact. energy: -0.047
local terms energy: -100.468669
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -26.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -236.604117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.604117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.604117 (E_RNA)
where:
Base-Base interactions energy: -146.146
where: short stacking energy: -85.979
Base-Backbone interact. energy: -0.518
local terms energy: -89.940129
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -22.023
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: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -195.369228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.369228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.369228 (E_RNA)
where:
Base-Base interactions energy: -111.592
where: short stacking energy: -53.754
Base-Backbone interact. energy: -0.154
local terms energy: -83.623195
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -21.407
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -223.777937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.777937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.777937 (E_RNA)
where:
Base-Base interactions energy: -140.274
where: short stacking energy: -74.396
Base-Backbone interact. energy: -0.096
local terms energy: -83.408059
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -14.264
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: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -115.104921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.104921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.104921 (E_RNA)
where:
Base-Base interactions energy: -49.365
where: short stacking energy: -29.344
Base-Backbone interact. energy: -0.812
local terms energy: -64.928358
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -0.315
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: 2
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -115.035817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.035817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.035817 (E_RNA)
where:
Base-Base interactions energy: -49.114
where: short stacking energy: -30.509
Base-Backbone interact. energy: -0.485
local terms energy: -65.437086
where:
bonds (distance) C4'-P energy: -19.884
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: 0.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -105.823100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.823100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.823100 (E_RNA)
where:
Base-Base interactions energy: -37.882
where: short stacking energy: -36.368
Base-Backbone interact. energy: -0.266
local terms energy: -67.674315
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -100.821146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.821146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.821146 (E_RNA)
where:
Base-Base interactions energy: -38.009
where: short stacking energy: -37.469
Base-Backbone interact. energy: 0.102
local terms energy: -62.914492
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -3.461
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -309.546727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.546727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.546727 (E_RNA)
where:
Base-Base interactions energy: -205.555
where: short stacking energy: -91.241
Base-Backbone interact. energy: -0.906
local terms energy: -103.085283
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -24.413
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: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -293.833249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.833249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.833249 (E_RNA)
where:
Base-Base interactions energy: -192.290
where: short stacking energy: -93.828
Base-Backbone interact. energy: -1.425
local terms energy: -100.119013
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -26.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -269.362804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.362804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.362804 (E_RNA)
where:
Base-Base interactions energy: -168.187
where: short stacking energy: -84.408
Base-Backbone interact. energy: 0.394
local terms energy: -101.569437
where:
bonds (distance) C4'-P energy: -20.253
bonds (distance) P-C4' energy: -22.650
flat angles C4'-P-C4' energy: -23.584
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -23.351
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: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -225.420743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.420743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.420743 (E_RNA)
where:
Base-Base interactions energy: -132.542
where: short stacking energy: -80.703
Base-Backbone interact. energy: -0.031
local terms energy: -92.847541
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -16.852
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: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -231.014208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.014208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.014208 (E_RNA)
where:
Base-Base interactions energy: -144.370
where: short stacking energy: -70.337
Base-Backbone interact. energy: -0.158
local terms energy: -86.485889
where:
bonds (distance) C4'-P energy: -21.831
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -183.456110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.456110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.456110 (E_RNA)
where:
Base-Base interactions energy: -104.310
where: short stacking energy: -61.244
Base-Backbone interact. energy: -0.851
local terms energy: -78.294244
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -13.690
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: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -146.983791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.983791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.983791 (E_RNA)
where:
Base-Base interactions energy: -78.965
where: short stacking energy: -51.466
Base-Backbone interact. energy: -0.103
local terms energy: -67.915815
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -8.429
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: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -139.544216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.544216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.544216 (E_RNA)
where:
Base-Base interactions energy: -57.739
where: short stacking energy: -43.710
Base-Backbone interact. energy: -1.118
local terms energy: -80.688081
where:
bonds (distance) C4'-P energy: -21.300
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -10.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -123.705758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.705758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.705758 (E_RNA)
where:
Base-Base interactions energy: -52.627
where: short stacking energy: -51.778
Base-Backbone interact. energy: -0.084
local terms energy: -70.994412
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -8.975
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: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -92.440723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.440723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.440723 (E_RNA)
where:
Base-Base interactions energy: -37.269
where: short stacking energy: -27.339
Base-Backbone interact. energy: -0.329
local terms energy: -54.842448
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -15.015
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -321.064464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.064464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.064464 (E_RNA)
where:
Base-Base interactions energy: -214.760
where: short stacking energy: -94.478
Base-Backbone interact. energy: -0.546
local terms energy: -105.757920
where:
bonds (distance) C4'-P energy: -21.469
bonds (distance) P-C4' energy: -22.321
flat angles C4'-P-C4' energy: -19.956
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -30.901
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: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -268.861944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.861944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.861944 (E_RNA)
where:
Base-Base interactions energy: -171.197
where: short stacking energy: -83.824
Base-Backbone interact. energy: -0.737
local terms energy: -96.928567
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -23.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -290.689429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.689429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.689429 (E_RNA)
where:
Base-Base interactions energy: -190.367
where: short stacking energy: -99.062
Base-Backbone interact. energy: 1.359
local terms energy: -101.681715
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -18.019
tors. eta vs tors. theta energy: -29.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -199.297548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.297548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.297548 (E_RNA)
where:
Base-Base interactions energy: -113.474
where: short stacking energy: -56.159
Base-Backbone interact. energy: -0.209
local terms energy: -85.613859
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -11.802
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: 5, replica: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -218.789438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.789438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.789438 (E_RNA)
where:
Base-Base interactions energy: -134.376
where: short stacking energy: -64.969
Base-Backbone interact. energy: -0.103
local terms energy: -84.311141
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -18.638
tors. eta vs tors. theta energy: -11.922
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: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -217.593218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.593218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.593218 (E_RNA)
where:
Base-Base interactions energy: -130.302
where: short stacking energy: -80.372
Base-Backbone interact. energy: -0.131
local terms energy: -87.159733
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -13.952
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: 7, replica: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -164.689464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.689464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.689464 (E_RNA)
where:
Base-Base interactions energy: -94.211
where: short stacking energy: -60.535
Base-Backbone interact. energy: -1.318
local terms energy: -69.160848
where:
bonds (distance) C4'-P energy: -21.764
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -9.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -119.263959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.263959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.263959 (E_RNA)
where:
Base-Base interactions energy: -52.998
where: short stacking energy: -37.098
Base-Backbone interact. energy: -0.590
local terms energy: -65.676280
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -99.191344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.191344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.191344 (E_RNA)
where:
Base-Base interactions energy: -30.892
where: short stacking energy: -29.060
Base-Backbone interact. energy: -0.107
local terms energy: -68.192380
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -22.379
flat angles C4'-P-C4' energy: -19.728
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -0.649
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: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -106.583126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.583126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.583126 (E_RNA)
where:
Base-Base interactions energy: -40.010
where: short stacking energy: -40.010
Base-Backbone interact. energy: 3.760
local terms energy: -70.332465
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -20.620
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -312.877827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.877827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.877827 (E_RNA)
where:
Base-Base interactions energy: -208.785
where: short stacking energy: -96.277
Base-Backbone interact. energy: -0.543
local terms energy: -103.549911
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -22.936
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -295.653418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.653418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.653418 (E_RNA)
where:
Base-Base interactions energy: -190.518
where: short stacking energy: -88.487
Base-Backbone interact. energy: -0.695
local terms energy: -104.440347
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -21.870
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: -25.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -280.113760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.113760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.113760 (E_RNA)
where:
Base-Base interactions energy: -185.062
where: short stacking energy: -92.162
Base-Backbone interact. energy: -0.184
local terms energy: -94.867230
where:
bonds (distance) C4'-P energy: -19.947
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -200.522394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.522394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.522394 (E_RNA)
where:
Base-Base interactions energy: -109.291
where: short stacking energy: -75.194
Base-Backbone interact. energy: 0.032
local terms energy: -91.262984
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -24.633
flat angles P-C4'-P energy: -17.021
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -216.860328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.860328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.860328 (E_RNA)
where:
Base-Base interactions energy: -133.108
where: short stacking energy: -69.483
Base-Backbone interact. energy: -0.810
local terms energy: -82.941801
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -11.293
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: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -188.263015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.263015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.263015 (E_RNA)
where:
Base-Base interactions energy: -110.821
where: short stacking energy: -59.143
Base-Backbone interact. energy: -0.694
local terms energy: -76.748099
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -21.072
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -14.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -162.447176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.447176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.447176 (E_RNA)
where:
Base-Base interactions energy: -88.309
where: short stacking energy: -42.037
Base-Backbone interact. energy: -0.220
local terms energy: -73.918689
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -114.664923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.664923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.664923 (E_RNA)
where:
Base-Base interactions energy: -54.349
where: short stacking energy: -48.661
Base-Backbone interact. energy: 0.417
local terms energy: -60.733135
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -7.046
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: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -108.212892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.212892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.212892 (E_RNA)
where:
Base-Base interactions energy: -45.505
where: short stacking energy: -44.979
Base-Backbone interact. energy: -0.073
local terms energy: -62.634307
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -6.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -93.219164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.219164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.219164 (E_RNA)
where:
Base-Base interactions energy: -33.286
where: short stacking energy: -29.935
Base-Backbone interact. energy: 0.004
local terms energy: -59.937004
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -12.606
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -308.601992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.601992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.601992 (E_RNA)
where:
Base-Base interactions energy: -208.855
where: short stacking energy: -91.893
Base-Backbone interact. energy: 0.470
local terms energy: -100.217391
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -24.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -300.981804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.981804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.981804 (E_RNA)
where:
Base-Base interactions energy: -196.663
where: short stacking energy: -94.086
Base-Backbone interact. energy: -0.349
local terms energy: -103.969750
where:
bonds (distance) C4'-P energy: -22.572
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -20.896
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -25.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -291.081641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.081641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.081641 (E_RNA)
where:
Base-Base interactions energy: -180.987
where: short stacking energy: -86.384
Base-Backbone interact. energy: 0.229
local terms energy: -110.324322
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -30.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -237.424077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.424077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.424077 (E_RNA)
where:
Base-Base interactions energy: -142.100
where: short stacking energy: -83.720
Base-Backbone interact. energy: 0.025
local terms energy: -95.348801
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -20.402
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -23.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -198.887237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.887237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.887237 (E_RNA)
where:
Base-Base interactions energy: -119.535
where: short stacking energy: -69.582
Base-Backbone interact. energy: -0.315
local terms energy: -79.037457
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -13.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -217.863016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.863016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.863016 (E_RNA)
where:
Base-Base interactions energy: -126.004
where: short stacking energy: -84.648
Base-Backbone interact. energy: 0.131
local terms energy: -91.989893
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -21.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -173.813309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.813309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.813309 (E_RNA)
where:
Base-Base interactions energy: -91.895
where: short stacking energy: -59.279
Base-Backbone interact. energy: -0.200
local terms energy: -81.718746
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -21.413
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -119.389953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.389953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.389953 (E_RNA)
where:
Base-Base interactions energy: -48.316
where: short stacking energy: -37.949
Base-Backbone interact. energy: 0.080
local terms energy: -71.154481
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -21.810
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -107.295047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.295047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.295047 (E_RNA)
where:
Base-Base interactions energy: -53.845
where: short stacking energy: -33.018
Base-Backbone interact. energy: -0.299
local terms energy: -53.151799
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -11.874
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: 10, replica: 1
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -101.512696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.512696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.512696 (E_RNA)
where:
Base-Base interactions energy: -32.503
where: short stacking energy: -31.821
Base-Backbone interact. energy: 1.240
local terms energy: -70.249196
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -23.998
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -309.142978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.142978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.142978 (E_RNA)
where:
Base-Base interactions energy: -203.343
where: short stacking energy: -100.304
Base-Backbone interact. energy: -0.138
local terms energy: -105.661430
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -21.516
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -29.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -302.847563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.847563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.847563 (E_RNA)
where:
Base-Base interactions energy: -196.535
where: short stacking energy: -85.572
Base-Backbone interact. energy: -1.506
local terms energy: -104.806493
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -26.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -297.181366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.181366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.181366 (E_RNA)
where:
Base-Base interactions energy: -187.425
where: short stacking energy: -96.667
Base-Backbone interact. energy: -0.231
local terms energy: -109.525387
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -26.181
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: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -233.990093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.990093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.990093 (E_RNA)
where:
Base-Base interactions energy: -143.632
where: short stacking energy: -68.300
Base-Backbone interact. energy: -0.215
local terms energy: -90.143163
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -15.658
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: 5, replica: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -223.576987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.576987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.576987 (E_RNA)
where:
Base-Base interactions energy: -136.549
where: short stacking energy: -86.032
Base-Backbone interact. energy: -0.090
local terms energy: -86.937458
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -189.028374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.028374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.028374 (E_RNA)
where:
Base-Base interactions energy: -117.803
where: short stacking energy: -64.306
Base-Backbone interact. energy: 0.663
local terms energy: -71.888039
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -20.526
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -11.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -173.850737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.850737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.850737 (E_RNA)
where:
Base-Base interactions energy: -90.214
where: short stacking energy: -55.289
Base-Backbone interact. energy: -0.908
local terms energy: -82.728601
where:
bonds (distance) C4'-P energy: -22.021
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -9.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -111.007987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.007987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.007987 (E_RNA)
where:
Base-Base interactions energy: -43.156
where: short stacking energy: -42.457
Base-Backbone interact. energy: 0.679
local terms energy: -68.531237
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -13.761
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: 9, replica: 1
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -107.027209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.027209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.027209 (E_RNA)
where:
Base-Base interactions energy: -44.249
where: short stacking energy: -44.249
Base-Backbone interact. energy: -0.131
local terms energy: -62.646687
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -18.304
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -88.846232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.846232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.846232 (E_RNA)
where:
Base-Base interactions energy: -37.981
where: short stacking energy: -36.315
Base-Backbone interact. energy: -0.288
local terms energy: -50.577118
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -3.397
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -308.851425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.851425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.851425 (E_RNA)
where:
Base-Base interactions energy: -208.040
where: short stacking energy: -97.570
Base-Backbone interact. energy: -0.140
local terms energy: -100.670555
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -13.011
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: 2, replica: 5
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -306.334700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.334700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.334700 (E_RNA)
where:
Base-Base interactions energy: -200.155
where: short stacking energy: -97.821
Base-Backbone interact. energy: -1.845
local terms energy: -104.333964
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -29.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -284.797735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.797735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.797735 (E_RNA)
where:
Base-Base interactions energy: -194.571
where: short stacking energy: -93.744
Base-Backbone interact. energy: -1.161
local terms energy: -89.065814
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -26.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -239.462154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.462154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.462154 (E_RNA)
where:
Base-Base interactions energy: -150.505
where: short stacking energy: -78.268
Base-Backbone interact. energy: -0.332
local terms energy: -88.625055
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -202.802456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.802456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.802456 (E_RNA)
where:
Base-Base interactions energy: -116.468
where: short stacking energy: -68.971
Base-Backbone interact. energy: -0.943
local terms energy: -85.391709
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -15.055
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: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -215.788373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.788373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.788373 (E_RNA)
where:
Base-Base interactions energy: -126.582
where: short stacking energy: -66.864
Base-Backbone interact. energy: -0.510
local terms energy: -88.696691
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -22.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -105.405759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.405759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.405759 (E_RNA)
where:
Base-Base interactions energy: -45.549
where: short stacking energy: -37.082
Base-Backbone interact. energy: -0.553
local terms energy: -59.303298
where:
bonds (distance) C4'-P energy: -20.390
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: 0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -131.194481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.194481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.194481 (E_RNA)
where:
Base-Base interactions energy: -66.981
where: short stacking energy: -49.981
Base-Backbone interact. energy: -1.204
local terms energy: -63.008990
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -7.560
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: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -109.641439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.641439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.641439 (E_RNA)
where:
Base-Base interactions energy: -43.458
where: short stacking energy: -37.684
Base-Backbone interact. energy: -0.086
local terms energy: -66.097027
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: -3.971
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: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -107.453201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.453201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.453201 (E_RNA)
where:
Base-Base interactions energy: -48.937
where: short stacking energy: -22.199
Base-Backbone interact. energy: -0.440
local terms energy: -58.076281
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: 1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -311.081170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.081170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.081170 (E_RNA)
where:
Base-Base interactions energy: -205.594
where: short stacking energy: -94.370
Base-Backbone interact. energy: -2.024
local terms energy: -103.463401
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -23.588
flat angles C4'-P-C4' energy: -22.665
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -25.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -309.745638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.745638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.745638 (E_RNA)
where:
Base-Base interactions energy: -205.156
where: short stacking energy: -102.943
Base-Backbone interact. energy: -1.123
local terms energy: -103.466966
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -28.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -292.929971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.929971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.929971 (E_RNA)
where:
Base-Base interactions energy: -191.660
where: short stacking energy: -97.701
Base-Backbone interact. energy: -0.085
local terms energy: -101.185182
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -23.589
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -28.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -254.772235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.772235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.772235 (E_RNA)
where:
Base-Base interactions energy: -159.404
where: short stacking energy: -84.267
Base-Backbone interact. energy: -0.327
local terms energy: -95.041121
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -19.223
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -20.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -218.638153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.638153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.638153 (E_RNA)
where:
Base-Base interactions energy: -134.254
where: short stacking energy: -87.459
Base-Backbone interact. energy: -0.020
local terms energy: -84.363873
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -22.809
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: 362
Temperature: 1.150000
Total energy: -223.494919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.494919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.494919 (E_RNA)
where:
Base-Base interactions energy: -136.770
where: short stacking energy: -68.650
Base-Backbone interact. energy: 0.724
local terms energy: -87.449168
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -19.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -115.999291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.999291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.999291 (E_RNA)
where:
Base-Base interactions energy: -47.266
where: short stacking energy: -45.232
Base-Backbone interact. energy: -0.657
local terms energy: -68.076218
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -111.360966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.360966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.360966 (E_RNA)
where:
Base-Base interactions energy: -48.281
where: short stacking energy: -36.607
Base-Backbone interact. energy: -0.035
local terms energy: -63.044254
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -4.738
tors. eta vs tors. theta energy: -2.768
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: 1
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -99.970140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.970140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.970140 (E_RNA)
where:
Base-Base interactions energy: -39.732
where: short stacking energy: -39.732
Base-Backbone interact. energy: 0.209
local terms energy: -60.446625
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -106.801271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.801271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.801271 (E_RNA)
where:
Base-Base interactions energy: -44.611
where: short stacking energy: -43.008
Base-Backbone interact. energy: -0.164
local terms energy: -62.026136
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -309.256150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.256150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.256150 (E_RNA)
where:
Base-Base interactions energy: -203.660
where: short stacking energy: -100.416
Base-Backbone interact. energy: -0.772
local terms energy: -104.824003
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -15.985
tors. eta vs tors. theta energy: -29.176
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: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -290.965460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.965460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.965460 (E_RNA)
where:
Base-Base interactions energy: -185.465
where: short stacking energy: -99.075
Base-Backbone interact. energy: 0.061
local terms energy: -105.562192
where:
bonds (distance) C4'-P energy: -21.387
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -22.732
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -27.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -281.041098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.041098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.041098 (E_RNA)
where:
Base-Base interactions energy: -182.146
where: short stacking energy: -83.345
Base-Backbone interact. energy: -0.108
local terms energy: -98.786772
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -27.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -254.024464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.024464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.024464 (E_RNA)
where:
Base-Base interactions energy: -154.382
where: short stacking energy: -70.744
Base-Backbone interact. energy: -2.569
local terms energy: -97.073007
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -24.371
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -16.963
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: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -211.684770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.684770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.684770 (E_RNA)
where:
Base-Base interactions energy: -129.392
where: short stacking energy: -75.373
Base-Backbone interact. energy: 0.469
local terms energy: -82.761550
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -18.867
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: 363
Temperature: 1.150000
Total energy: -199.363336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.363336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.363336 (E_RNA)
where:
Base-Base interactions energy: -112.913
where: short stacking energy: -60.022
Base-Backbone interact. energy: 2.794
local terms energy: -89.244348
where:
bonds (distance) C4'-P energy: -18.811
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -142.488965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.488965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.488965 (E_RNA)
where:
Base-Base interactions energy: -69.559
where: short stacking energy: -58.423
Base-Backbone interact. energy: -0.512
local terms energy: -72.418139
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -11.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -103.243441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.243441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.243441 (E_RNA)
where:
Base-Base interactions energy: -35.349
where: short stacking energy: -33.772
Base-Backbone interact. energy: -0.497
local terms energy: -67.397139
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -3.329
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: 9, replica: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -104.272442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.272442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.272442 (E_RNA)
where:
Base-Base interactions energy: -39.976
where: short stacking energy: -39.976
Base-Backbone interact. energy: -0.459
local terms energy: -63.837282
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -19.459
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -109.814309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.814309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.814309 (E_RNA)
where:
Base-Base interactions energy: -44.696
where: short stacking energy: -36.551
Base-Backbone interact. energy: 0.965
local terms energy: -66.083839
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -3.633
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -292.114169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.114169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.114169 (E_RNA)
where:
Base-Base interactions energy: -193.980
where: short stacking energy: -79.115
Base-Backbone interact. energy: -0.627
local terms energy: -97.507969
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -12.708
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: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -297.628338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.628338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.628338 (E_RNA)
where:
Base-Base interactions energy: -206.761
where: short stacking energy: -88.845
Base-Backbone interact. energy: 0.597
local terms energy: -91.464653
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -27.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -249.818120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.818120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.818120 (E_RNA)
where:
Base-Base interactions energy: -157.103
where: short stacking energy: -79.407
Base-Backbone interact. energy: -0.150
local terms energy: -92.565440
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -23.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -273.998029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.998029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.998029 (E_RNA)
where:
Base-Base interactions energy: -179.962
where: short stacking energy: -98.064
Base-Backbone interact. energy: -0.067
local terms energy: -93.969331
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -29.667
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: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -263.105852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.105852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.105852 (E_RNA)
where:
Base-Base interactions energy: -161.483
where: short stacking energy: -85.898
Base-Backbone interact. energy: -0.538
local terms energy: -101.084798
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: -24.906
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: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -199.149769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.149769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.149769 (E_RNA)
where:
Base-Base interactions energy: -123.435
where: short stacking energy: -71.544
Base-Backbone interact. energy: 0.430
local terms energy: -76.144343
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -17.106
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: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -127.499766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.499766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.499766 (E_RNA)
where:
Base-Base interactions energy: -50.243
where: short stacking energy: -51.343
Base-Backbone interact. energy: -0.147
local terms energy: -77.109543
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -137.326903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.326903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.326903 (E_RNA)
where:
Base-Base interactions energy: -71.216
where: short stacking energy: -48.665
Base-Backbone interact. energy: -0.548
local terms energy: -65.562984
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -8.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -114.463933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.463933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.463933 (E_RNA)
where:
Base-Base interactions energy: -43.076
where: short stacking energy: -26.007
Base-Backbone interact. energy: -0.512
local terms energy: -70.876543
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -6.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -94.901130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.901130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.901130 (E_RNA)
where:
Base-Base interactions energy: -35.578
where: short stacking energy: -27.839
Base-Backbone interact. energy: -0.202
local terms energy: -59.120996
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -2.103
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -311.062028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.062028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.062028 (E_RNA)
where:
Base-Base interactions energy: -213.330
where: short stacking energy: -99.319
Base-Backbone interact. energy: -0.571
local terms energy: -97.161669
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -24.423
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -22.838
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: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -303.877866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.877866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.877866 (E_RNA)
where:
Base-Base interactions energy: -206.553
where: short stacking energy: -87.235
Base-Backbone interact. energy: -0.209
local terms energy: -97.115642
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -265.771968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.771968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.771968 (E_RNA)
where:
Base-Base interactions energy: -167.806
where: short stacking energy: -81.349
Base-Backbone interact. energy: 0.029
local terms energy: -97.994711
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -23.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -262.253549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.253549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.253549 (E_RNA)
where:
Base-Base interactions energy: -168.378
where: short stacking energy: -78.199
Base-Backbone interact. energy: 0.621
local terms energy: -94.495864
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -20.653
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -19.192
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: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -265.111176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.111176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.111176 (E_RNA)
where:
Base-Base interactions energy: -169.737
where: short stacking energy: -87.418
Base-Backbone interact. energy: -1.103
local terms energy: -94.270602
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -26.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -183.526795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.526795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.526795 (E_RNA)
where:
Base-Base interactions energy: -96.999
where: short stacking energy: -60.057
Base-Backbone interact. energy: -0.456
local terms energy: -86.072375
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -123.075898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.075898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.075898 (E_RNA)
where:
Base-Base interactions energy: -47.753
where: short stacking energy: -41.965
Base-Backbone interact. energy: -0.161
local terms energy: -75.161484
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -116.588789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.588789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.588789 (E_RNA)
where:
Base-Base interactions energy: -49.644
where: short stacking energy: -31.351
Base-Backbone interact. energy: -0.282
local terms energy: -66.662852
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -8.582
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: 9, replica: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -104.149712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.149712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.149712 (E_RNA)
where:
Base-Base interactions energy: -49.940
where: short stacking energy: -25.058
Base-Backbone interact. energy: 3.475
local terms energy: -57.685262
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: 5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -96.803175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.803175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.803175 (E_RNA)
where:
Base-Base interactions energy: -33.687
where: short stacking energy: -33.687
Base-Backbone interact. energy: -0.409
local terms energy: -62.706707
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -304.463076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.463076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.463076 (E_RNA)
where:
Base-Base interactions energy: -199.671
where: short stacking energy: -95.828
Base-Backbone interact. energy: -0.234
local terms energy: -104.557852
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -28.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -305.566956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.566956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.566956 (E_RNA)
where:
Base-Base interactions energy: -205.129
where: short stacking energy: -94.177
Base-Backbone interact. energy: -0.338
local terms energy: -100.099858
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -23.298
flat angles C4'-P-C4' energy: -20.943
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -23.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -255.053127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.053127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.053127 (E_RNA)
where:
Base-Base interactions energy: -160.831
where: short stacking energy: -85.062
Base-Backbone interact. energy: -0.523
local terms energy: -93.699841
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -22.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -270.252797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.252797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.252797 (E_RNA)
where:
Base-Base interactions energy: -173.635
where: short stacking energy: -83.910
Base-Backbone interact. energy: -1.150
local terms energy: -95.467760
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -25.349
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: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -261.988138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.988138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.988138 (E_RNA)
where:
Base-Base interactions energy: -173.021
where: short stacking energy: -85.422
Base-Backbone interact. energy: 1.044
local terms energy: -90.011594
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -18.535
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -21.825
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: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -206.794587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.794587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.794587 (E_RNA)
where:
Base-Base interactions energy: -123.822
where: short stacking energy: -61.157
Base-Backbone interact. energy: 0.028
local terms energy: -83.000420
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -132.148343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.148343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.148343 (E_RNA)
where:
Base-Base interactions energy: -70.378
where: short stacking energy: -42.743
Base-Backbone interact. energy: -0.188
local terms energy: -61.582054
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -112.276786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.276786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.276786 (E_RNA)
where:
Base-Base interactions energy: -53.831
where: short stacking energy: -46.206
Base-Backbone interact. energy: -0.744
local terms energy: -57.702079
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -108.061427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.061427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.061427 (E_RNA)
where:
Base-Base interactions energy: -33.269
where: short stacking energy: -33.150
Base-Backbone interact. energy: -0.154
local terms energy: -74.639017
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -111.886413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.886413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.886413 (E_RNA)
where:
Base-Base interactions energy: -51.281
where: short stacking energy: -41.729
Base-Backbone interact. energy: -0.336
local terms energy: -60.270057
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -1.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -298.738090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.738090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.738090 (E_RNA)
where:
Base-Base interactions energy: -196.030
where: short stacking energy: -96.045
Base-Backbone interact. energy: -0.164
local terms energy: -102.544117
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -21.675
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -24.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -312.025996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.025996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.025996 (E_RNA)
where:
Base-Base interactions energy: -203.029
where: short stacking energy: -92.504
Base-Backbone interact. energy: -0.348
local terms energy: -108.648662
where:
bonds (distance) C4'-P energy: -22.857
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -27.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -265.725420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.725420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.725420 (E_RNA)
where:
Base-Base interactions energy: -171.510
where: short stacking energy: -91.703
Base-Backbone interact. energy: -0.087
local terms energy: -94.128623
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -25.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -282.648071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.648071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.648071 (E_RNA)
where:
Base-Base interactions energy: -185.714
where: short stacking energy: -88.445
Base-Backbone interact. energy: -0.186
local terms energy: -96.748586
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -21.713
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -26.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -240.321498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.321498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.321498 (E_RNA)
where:
Base-Base interactions energy: -151.482
where: short stacking energy: -75.152
Base-Backbone interact. energy: 3.416
local terms energy: -92.255701
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -17.788
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: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -184.893374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.893374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.893374 (E_RNA)
where:
Base-Base interactions energy: -104.688
where: short stacking energy: -56.237
Base-Backbone interact. energy: -0.085
local terms energy: -80.121055
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -14.351
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: 7
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -129.224418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.224418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.224418 (E_RNA)
where:
Base-Base interactions energy: -59.962
where: short stacking energy: -34.854
Base-Backbone interact. energy: 2.323
local terms energy: -71.585203
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -105.369191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.369191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.369191 (E_RNA)
where:
Base-Base interactions energy: -43.802
where: short stacking energy: -37.446
Base-Backbone interact. energy: 0.599
local terms energy: -62.166601
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -123.333256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.333256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.333256 (E_RNA)
where:
Base-Base interactions energy: -44.190
where: short stacking energy: -38.738
Base-Backbone interact. energy: -0.720
local terms energy: -78.422824
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -24.544
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -100.445703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.445703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.445703 (E_RNA)
where:
Base-Base interactions energy: -37.951
where: short stacking energy: -37.951
Base-Backbone interact. energy: 0.212
local terms energy: -62.706720
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -2.405
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -296.657389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.657389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.657389 (E_RNA)
where:
Base-Base interactions energy: -202.134
where: short stacking energy: -81.863
Base-Backbone interact. energy: -0.638
local terms energy: -93.885843
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -23.125
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: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -295.373862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.373862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.373862 (E_RNA)
where:
Base-Base interactions energy: -187.907
where: short stacking energy: -99.149
Base-Backbone interact. energy: -0.943
local terms energy: -106.523324
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -27.905
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: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -284.389725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.389725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.389725 (E_RNA)
where:
Base-Base interactions energy: -190.759
where: short stacking energy: -97.800
Base-Backbone interact. energy: -0.102
local terms energy: -93.528117
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -27.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -264.840153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.840153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.840153 (E_RNA)
where:
Base-Base interactions energy: -173.710
where: short stacking energy: -94.615
Base-Backbone interact. energy: -0.131
local terms energy: -90.999446
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -24.143
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: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -248.948737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.948737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.948737 (E_RNA)
where:
Base-Base interactions energy: -155.914
where: short stacking energy: -72.039
Base-Backbone interact. energy: -0.132
local terms energy: -92.902529
where:
bonds (distance) C4'-P energy: -20.803
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -16.948
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: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -188.480921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.480921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.480921 (E_RNA)
where:
Base-Base interactions energy: -117.118
where: short stacking energy: -48.825
Base-Backbone interact. energy: -1.253
local terms energy: -70.109531
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -145.921090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.921090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.921090 (E_RNA)
where:
Base-Base interactions energy: -81.349
where: short stacking energy: -37.475
Base-Backbone interact. energy: -0.732
local terms energy: -63.840369
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -24.742
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -105.733190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.733190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.733190 (E_RNA)
where:
Base-Base interactions energy: -36.724
where: short stacking energy: -33.302
Base-Backbone interact. energy: 1.717
local terms energy: -70.726634
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -1.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -113.834250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.834250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.834250 (E_RNA)
where:
Base-Base interactions energy: -45.164
where: short stacking energy: -45.164
Base-Backbone interact. energy: -0.084
local terms energy: -68.586541
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -104.772983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.772983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.772983 (E_RNA)
where:
Base-Base interactions energy: -47.288
where: short stacking energy: -36.257
Base-Backbone interact. energy: -0.151
local terms energy: -57.334528
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: 3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -308.478201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.478201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.478201 (E_RNA)
where:
Base-Base interactions energy: -206.168
where: short stacking energy: -90.930
Base-Backbone interact. energy: 1.327
local terms energy: -103.637728
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -294.978387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.978387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.978387 (E_RNA)
where:
Base-Base interactions energy: -191.098
where: short stacking energy: -89.339
Base-Backbone interact. energy: -1.074
local terms energy: -102.805835
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -24.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -280.152523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.152523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.152523 (E_RNA)
where:
Base-Base interactions energy: -177.237
where: short stacking energy: -88.017
Base-Backbone interact. energy: 0.561
local terms energy: -103.476417
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -21.786
flat angles C4'-P-C4' energy: -21.380
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -24.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -257.691489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.691489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.691489 (E_RNA)
where:
Base-Base interactions energy: -165.743
where: short stacking energy: -71.355
Base-Backbone interact. energy: -0.211
local terms energy: -91.737751
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -240.572979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.572979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.572979 (E_RNA)
where:
Base-Base interactions energy: -156.221
where: short stacking energy: -81.500
Base-Backbone interact. energy: -0.035
local terms energy: -84.316945
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -22.346
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -21.287
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: 4
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -198.810992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.810992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.810992 (E_RNA)
where:
Base-Base interactions energy: -116.868
where: short stacking energy: -59.487
Base-Backbone interact. energy: 0.268
local terms energy: -82.211505
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -17.330
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: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -160.242797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.242797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.242797 (E_RNA)
where:
Base-Base interactions energy: -84.923
where: short stacking energy: -49.771
Base-Backbone interact. energy: -0.822
local terms energy: -74.498460
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -8.579
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: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -128.604096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.604096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.604096 (E_RNA)
where:
Base-Base interactions energy: -56.749
where: short stacking energy: -50.214
Base-Backbone interact. energy: -0.787
local terms energy: -71.068345
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -12.115
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: 9, replica: 2
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -114.082860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.082860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.082860 (E_RNA)
where:
Base-Base interactions energy: -41.762
where: short stacking energy: -37.644
Base-Backbone interact. energy: -0.003
local terms energy: -72.317289
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -10.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -109.778205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.778205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.778205 (E_RNA)
where:
Base-Base interactions energy: -44.926
where: short stacking energy: -27.482
Base-Backbone interact. energy: -0.048
local terms energy: -64.804599
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -302.122327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.122327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.122327 (E_RNA)
where:
Base-Base interactions energy: -207.388
where: short stacking energy: -101.693
Base-Backbone interact. energy: 0.337
local terms energy: -95.071359
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -26.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -304.225442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.225442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.225442 (E_RNA)
where:
Base-Base interactions energy: -203.104
where: short stacking energy: -83.931
Base-Backbone interact. energy: -1.301
local terms energy: -99.819878
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -21.476
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -23.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -288.625561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.625561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.625561 (E_RNA)
where:
Base-Base interactions energy: -181.651
where: short stacking energy: -95.440
Base-Backbone interact. energy: -0.071
local terms energy: -106.903958
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -31.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -267.099698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.099698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.099698 (E_RNA)
where:
Base-Base interactions energy: -168.033
where: short stacking energy: -78.879
Base-Backbone interact. energy: -1.390
local terms energy: -97.676618
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -22.621
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -22.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -229.805272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.805272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.805272 (E_RNA)
where:
Base-Base interactions energy: -145.752
where: short stacking energy: -68.482
Base-Backbone interact. energy: -0.174
local terms energy: -83.879216
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -169.751937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.751937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.751937 (E_RNA)
where:
Base-Base interactions energy: -94.064
where: short stacking energy: -42.372
Base-Backbone interact. energy: -0.661
local terms energy: -75.027102
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -160.726417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.726417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.726417 (E_RNA)
where:
Base-Base interactions energy: -78.866
where: short stacking energy: -50.556
Base-Backbone interact. energy: -0.065
local terms energy: -81.795338
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -11.549
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: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -125.551202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.551202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.551202 (E_RNA)
where:
Base-Base interactions energy: -56.948
where: short stacking energy: -50.467
Base-Backbone interact. energy: -0.728
local terms energy: -67.875022
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -21.513
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -104.948489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.948489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.948489 (E_RNA)
where:
Base-Base interactions energy: -37.740
where: short stacking energy: -37.740
Base-Backbone interact. energy: -0.380
local terms energy: -66.829382
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -9.096
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: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -103.508298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.508298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.508298 (E_RNA)
where:
Base-Base interactions energy: -37.207
where: short stacking energy: -36.483
Base-Backbone interact. energy: -0.089
local terms energy: -66.212144
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -4.316
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -303.261716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.261716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.261716 (E_RNA)
where:
Base-Base interactions energy: -201.910
where: short stacking energy: -93.475
Base-Backbone interact. energy: -2.242
local terms energy: -99.109983
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -20.811
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: -23.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -297.551808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.551808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.551808 (E_RNA)
where:
Base-Base interactions energy: -196.388
where: short stacking energy: -79.950
Base-Backbone interact. energy: -0.580
local terms energy: -100.583540
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -23.884
flat angles P-C4'-P energy: -16.754
tors. eta vs tors. theta energy: -18.333
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: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -264.767473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.767473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.767473 (E_RNA)
where:
Base-Base interactions energy: -174.431
where: short stacking energy: -87.704
Base-Backbone interact. energy: -0.019
local terms energy: -90.316766
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -27.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -245.467682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.467682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.467682 (E_RNA)
where:
Base-Base interactions energy: -163.498
where: short stacking energy: -84.334
Base-Backbone interact. energy: -0.376
local terms energy: -81.593879
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -17.321
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: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -250.773138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.773138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.773138 (E_RNA)
where:
Base-Base interactions energy: -153.889
where: short stacking energy: -92.145
Base-Backbone interact. energy: -0.002
local terms energy: -96.882522
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -23.326
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: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -136.483492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.483492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.483492 (E_RNA)
where:
Base-Base interactions energy: -56.796
where: short stacking energy: -52.242
Base-Backbone interact. energy: -0.041
local terms energy: -79.645726
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -21.398
flat angles P-C4'-P energy: -6.686
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: 7, replica: 4
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -160.075685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.075685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.075685 (E_RNA)
where:
Base-Base interactions energy: -84.667
where: short stacking energy: -52.248
Base-Backbone interact. energy: -0.283
local terms energy: -75.125889
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -5.850
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: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -100.667040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.667040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.667040 (E_RNA)
where:
Base-Base interactions energy: -48.654
where: short stacking energy: -50.255
Base-Backbone interact. energy: -0.148
local terms energy: -51.865251
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -0.322
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: 9, replica: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -102.398617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.398617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.398617 (E_RNA)
where:
Base-Base interactions energy: -47.413
where: short stacking energy: -34.555
Base-Backbone interact. energy: -0.464
local terms energy: -54.521687
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -8.241
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: 2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -111.558029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.558029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.558029 (E_RNA)
where:
Base-Base interactions energy: -45.092
where: short stacking energy: -43.789
Base-Backbone interact. energy: -0.080
local terms energy: -66.385836
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -6.798
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -301.751666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.751666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.751666 (E_RNA)
where:
Base-Base interactions energy: -203.611
where: short stacking energy: -92.313
Base-Backbone interact. energy: -0.167
local terms energy: -97.973917
where:
bonds (distance) C4'-P energy: -23.619
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -20.356
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: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -295.564906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.564906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.564906 (E_RNA)
where:
Base-Base interactions energy: -197.608
where: short stacking energy: -89.767
Base-Backbone interact. energy: -1.756
local terms energy: -96.200798
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -22.244
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -25.358
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: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -255.769995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.769995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.769995 (E_RNA)
where:
Base-Base interactions energy: -171.583
where: short stacking energy: -83.973
Base-Backbone interact. energy: -0.150
local terms energy: -84.036851
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -268.874451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.874451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.874451 (E_RNA)
where:
Base-Base interactions energy: -167.027
where: short stacking energy: -77.818
Base-Backbone interact. energy: -1.162
local terms energy: -100.685019
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -16.042
tors. eta vs tors. theta energy: -22.823
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: 372
Temperature: 1.100000
Total energy: -252.625280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.625280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.625280 (E_RNA)
where:
Base-Base interactions energy: -156.219
where: short stacking energy: -80.218
Base-Backbone interact. energy: -0.338
local terms energy: -96.067588
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -20.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -125.461508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.461508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.461508 (E_RNA)
where:
Base-Base interactions energy: -57.792
where: short stacking energy: -50.203
Base-Backbone interact. energy: -0.263
local terms energy: -67.407115
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -5.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -119.941778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.941778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.941778 (E_RNA)
where:
Base-Base interactions energy: -50.543
where: short stacking energy: -45.034
Base-Backbone interact. energy: -0.680
local terms energy: -68.718534
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -6.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -115.275226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.275226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.275226 (E_RNA)
where:
Base-Base interactions energy: -52.795
where: short stacking energy: -51.365
Base-Backbone interact. energy: 0.299
local terms energy: -62.778977
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -4.468
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: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -106.413150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.413150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.413150 (E_RNA)
where:
Base-Base interactions energy: -55.609
where: short stacking energy: -47.955
Base-Backbone interact. energy: -0.401
local terms energy: -50.403000
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -3.449
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -99.806370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.806370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.806370 (E_RNA)
where:
Base-Base interactions energy: -36.945
where: short stacking energy: -26.522
Base-Backbone interact. energy: -0.076
local terms energy: -62.785445
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -8.672
flat angles P-C4'-P energy: -15.763
tors. eta vs tors. theta energy: -1.867
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -304.463676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.463676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.463676 (E_RNA)
where:
Base-Base interactions energy: -196.804
where: short stacking energy: -94.723
Base-Backbone interact. energy: 0.026
local terms energy: -107.686353
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -23.617
flat angles C4'-P-C4' energy: -24.249
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -24.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -283.569228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.569228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.569228 (E_RNA)
where:
Base-Base interactions energy: -187.260
where: short stacking energy: -74.184
Base-Backbone interact. energy: -1.109
local terms energy: -95.200337
where:
bonds (distance) C4'-P energy: -20.278
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -24.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -232.375710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.375710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.375710 (E_RNA)
where:
Base-Base interactions energy: -145.782
where: short stacking energy: -69.758
Base-Backbone interact. energy: -0.420
local terms energy: -86.173314
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -272.507657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.507657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.507657 (E_RNA)
where:
Base-Base interactions energy: -167.942
where: short stacking energy: -81.025
Base-Backbone interact. energy: -0.070
local terms energy: -104.494937
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -27.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -220.904167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.904167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.904167 (E_RNA)
where:
Base-Base interactions energy: -140.528
where: short stacking energy: -81.597
Base-Backbone interact. energy: -0.257
local terms energy: -80.119927
where:
bonds (distance) C4'-P energy: -9.223
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -20.885
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: 373
Temperature: 1.150000
Total energy: -115.873758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.873758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.873758 (E_RNA)
where:
Base-Base interactions energy: -47.404
where: short stacking energy: -39.914
Base-Backbone interact. energy: 0.027
local terms energy: -68.497109
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: 0.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -123.006223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.006223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.006223 (E_RNA)
where:
Base-Base interactions energy: -59.515
where: short stacking energy: -34.611
Base-Backbone interact. energy: 0.242
local terms energy: -63.734078
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -1.674
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: 373
Temperature: 1.250000
Total energy: -106.035674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.035674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.035674 (E_RNA)
where:
Base-Base interactions energy: -39.020
where: short stacking energy: -34.959
Base-Backbone interact. energy: -0.650
local terms energy: -66.365906
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -102.686996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.686996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.686996 (E_RNA)
where:
Base-Base interactions energy: -41.265
where: short stacking energy: -42.068
Base-Backbone interact. energy: -0.237
local terms energy: -61.184503
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -102.439720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.439720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.439720 (E_RNA)
where:
Base-Base interactions energy: -44.212
where: short stacking energy: -42.363
Base-Backbone interact. energy: -0.999
local terms energy: -57.228039
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -3.202
tors. eta vs tors. theta energy: -3.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -308.125652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.125652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.125652 (E_RNA)
where:
Base-Base interactions energy: -199.996
where: short stacking energy: -101.201
Base-Backbone interact. energy: -0.573
local terms energy: -107.556758
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -20.882
flat angles C4'-P-C4' energy: -23.572
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -26.932
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: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -282.149688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.149688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.149688 (E_RNA)
where:
Base-Base interactions energy: -187.667
where: short stacking energy: -82.076
Base-Backbone interact. energy: -1.202
local terms energy: -93.280891
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -21.647
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: 3, replica: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -265.923405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.923405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.923405 (E_RNA)
where:
Base-Base interactions energy: -172.333
where: short stacking energy: -78.072
Base-Backbone interact. energy: 0.059
local terms energy: -93.649556
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -251.660119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.660119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.660119 (E_RNA)
where:
Base-Base interactions energy: -157.071
where: short stacking energy: -81.625
Base-Backbone interact. energy: -1.375
local terms energy: -93.215015
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -15.091
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -209.615261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.615261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.615261 (E_RNA)
where:
Base-Base interactions energy: -123.114
where: short stacking energy: -72.849
Base-Backbone interact. energy: -0.051
local terms energy: -86.449629
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -133.180623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.180623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.180623 (E_RNA)
where:
Base-Base interactions energy: -58.025
where: short stacking energy: -53.932
Base-Backbone interact. energy: -0.371
local terms energy: -74.785540
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -12.976
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: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -127.345307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.345307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.345307 (E_RNA)
where:
Base-Base interactions energy: -45.767
where: short stacking energy: -41.270
Base-Backbone interact. energy: -0.112
local terms energy: -81.466581
where:
bonds (distance) C4'-P energy: -21.192
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -14.690
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: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -111.158274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.158274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.158274 (E_RNA)
where:
Base-Base interactions energy: -39.099
where: short stacking energy: -38.587
Base-Backbone interact. energy: -0.490
local terms energy: -71.569140
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -9.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -129.076366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.076366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.076366 (E_RNA)
where:
Base-Base interactions energy: -55.848
where: short stacking energy: -54.549
Base-Backbone interact. energy: -0.090
local terms energy: -73.138927
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -10.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -111.485272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.485272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.485272 (E_RNA)
where:
Base-Base interactions energy: -49.973
where: short stacking energy: -46.962
Base-Backbone interact. energy: -0.049
local terms energy: -61.462565
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -9.012
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -303.118014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.118014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.118014 (E_RNA)
where:
Base-Base interactions energy: -191.384
where: short stacking energy: -96.144
Base-Backbone interact. energy: -1.373
local terms energy: -110.360681
where:
bonds (distance) C4'-P energy: -22.108
bonds (distance) P-C4' energy: -20.526
flat angles C4'-P-C4' energy: -25.463
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -26.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -284.097622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.097622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.097622 (E_RNA)
where:
Base-Base interactions energy: -183.885
where: short stacking energy: -83.566
Base-Backbone interact. energy: -1.301
local terms energy: -98.911124
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -25.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -287.761098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.761098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.761098 (E_RNA)
where:
Base-Base interactions energy: -190.430
where: short stacking energy: -80.053
Base-Backbone interact. energy: -0.746
local terms energy: -96.585480
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -21.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -244.762281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.762281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.762281 (E_RNA)
where:
Base-Base interactions energy: -155.240
where: short stacking energy: -85.220
Base-Backbone interact. energy: -0.621
local terms energy: -88.900866
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -17.298
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: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -219.111383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.111383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.111383 (E_RNA)
where:
Base-Base interactions energy: -132.480
where: short stacking energy: -70.542
Base-Backbone interact. energy: -0.886
local terms energy: -85.744655
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -16.507
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: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -130.988556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.988556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.988556 (E_RNA)
where:
Base-Base interactions energy: -62.592
where: short stacking energy: -55.473
Base-Backbone interact. energy: -0.394
local terms energy: -68.002984
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -9.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -121.898632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.898632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.898632 (E_RNA)
where:
Base-Base interactions energy: -48.077
where: short stacking energy: -48.077
Base-Backbone interact. energy: -0.272
local terms energy: -73.549320
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -8.191
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: 8, replica: 2
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -124.513670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.513670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.513670 (E_RNA)
where:
Base-Base interactions energy: -48.496
where: short stacking energy: -47.372
Base-Backbone interact. energy: -0.025
local terms energy: -75.993022
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -7.533
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: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -111.558941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.558941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.558941 (E_RNA)
where:
Base-Base interactions energy: -51.993
where: short stacking energy: -41.738
Base-Backbone interact. energy: -0.220
local terms energy: -59.346128
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -1.623
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: 10, replica: 1
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -95.019511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.019511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.019511 (E_RNA)
where:
Base-Base interactions energy: -34.222
where: short stacking energy: -34.222
Base-Backbone interact. energy: -0.264
local terms energy: -60.532990
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -20.152
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: 1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -301.082211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.082211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.082211 (E_RNA)
where:
Base-Base interactions energy: -197.025
where: short stacking energy: -89.441
Base-Backbone interact. energy: -0.470
local terms energy: -103.586415
where:
bonds (distance) C4'-P energy: -19.339
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -23.719
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -22.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -287.247665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.247665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.247665 (E_RNA)
where:
Base-Base interactions energy: -190.812
where: short stacking energy: -99.347
Base-Backbone interact. energy: -0.310
local terms energy: -96.125520
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -23.177
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: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -296.898663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.898663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.898663 (E_RNA)
where:
Base-Base interactions energy: -203.995
where: short stacking energy: -84.948
Base-Backbone interact. energy: -0.940
local terms energy: -91.963715
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -25.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -248.475188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.475188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.475188 (E_RNA)
where:
Base-Base interactions energy: -153.768
where: short stacking energy: -79.698
Base-Backbone interact. energy: -0.205
local terms energy: -94.501976
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -22.414
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -12.791
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: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -195.270784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.270784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.270784 (E_RNA)
where:
Base-Base interactions energy: -115.016
where: short stacking energy: -64.450
Base-Backbone interact. energy: -0.759
local terms energy: -79.495946
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -9.906
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: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -133.627880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.627880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.627880 (E_RNA)
where:
Base-Base interactions energy: -71.256
where: short stacking energy: -44.184
Base-Backbone interact. energy: -0.284
local terms energy: -62.087428
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -2.082
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: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -113.080500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.080500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.080500 (E_RNA)
where:
Base-Base interactions energy: -43.434
where: short stacking energy: -38.961
Base-Backbone interact. energy: -0.275
local terms energy: -69.370966
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -2.947
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: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -116.944367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.944367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.944367 (E_RNA)
where:
Base-Base interactions energy: -47.899
where: short stacking energy: -47.899
Base-Backbone interact. energy: -0.038
local terms energy: -69.007517
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -19.737
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -112.620131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.620131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.620131 (E_RNA)
where:
Base-Base interactions energy: -49.356
where: short stacking energy: -49.356
Base-Backbone interact. energy: -0.405
local terms energy: -62.858304
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -7.761
flat angles P-C4'-P energy: -3.163
tors. eta vs tors. theta energy: -8.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -106.546357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.546357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.546357 (E_RNA)
where:
Base-Base interactions energy: -46.496
where: short stacking energy: -46.496
Base-Backbone interact. energy: -0.678
local terms energy: -59.373110
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -300.684890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.684890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.684890 (E_RNA)
where:
Base-Base interactions energy: -203.705
where: short stacking energy: -84.372
Base-Backbone interact. energy: -0.222
local terms energy: -96.757771
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -24.227
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -18.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -290.253814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.253814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.253814 (E_RNA)
where:
Base-Base interactions energy: -204.852
where: short stacking energy: -78.295
Base-Backbone interact. energy: -0.809
local terms energy: -84.592131
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -22.467
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: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -280.869536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.869536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.869536 (E_RNA)
where:
Base-Base interactions energy: -183.319
where: short stacking energy: -82.915
Base-Backbone interact. energy: -0.043
local terms energy: -97.507492
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -24.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -222.064600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.064600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.064600 (E_RNA)
where:
Base-Base interactions energy: -135.847
where: short stacking energy: -85.246
Base-Backbone interact. energy: -0.003
local terms energy: -86.214743
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -225.964976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.964976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.964976 (E_RNA)
where:
Base-Base interactions energy: -134.905
where: short stacking energy: -64.364
Base-Backbone interact. energy: -0.437
local terms energy: -90.623477
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -9.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -140.504375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.504375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.504375 (E_RNA)
where:
Base-Base interactions energy: -68.132
where: short stacking energy: -53.214
Base-Backbone interact. energy: -0.665
local terms energy: -71.707389
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -9.157
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: 7, replica: 2
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -112.429574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.429574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.429574 (E_RNA)
where:
Base-Base interactions energy: -51.604
where: short stacking energy: -51.402
Base-Backbone interact. energy: -0.032
local terms energy: -60.793597
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -6.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -117.955088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.955088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.955088 (E_RNA)
where:
Base-Base interactions energy: -51.656
where: short stacking energy: -31.865
Base-Backbone interact. energy: 1.437
local terms energy: -67.735718
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -105.744201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.744201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.744201 (E_RNA)
where:
Base-Base interactions energy: -47.363
where: short stacking energy: -47.463
Base-Backbone interact. energy: -0.224
local terms energy: -58.156705
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -5.064
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: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -96.566131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.566131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.566131 (E_RNA)
where:
Base-Base interactions energy: -32.089
where: short stacking energy: -27.566
Base-Backbone interact. energy: -0.165
local terms energy: -64.313055
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -4.536
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -302.426527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.426527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.426527 (E_RNA)
where:
Base-Base interactions energy: -198.569
where: short stacking energy: -94.239
Base-Backbone interact. energy: -0.936
local terms energy: -102.921929
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -23.452
flat angles C4'-P-C4' energy: -21.998
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -25.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -284.855894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.855894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.855894 (E_RNA)
where:
Base-Base interactions energy: -189.821
where: short stacking energy: -79.621
Base-Backbone interact. energy: -1.203
local terms energy: -93.831750
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -21.131
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: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -275.245876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.245876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.245876 (E_RNA)
where:
Base-Base interactions energy: -173.865
where: short stacking energy: -86.239
Base-Backbone interact. energy: 0.103
local terms energy: -101.483725
where:
bonds (distance) C4'-P energy: -19.620
bonds (distance) P-C4' energy: -19.719
flat angles C4'-P-C4' energy: -23.446
flat angles P-C4'-P energy: -16.998
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -202.205960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.205960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.205960 (E_RNA)
where:
Base-Base interactions energy: -122.930
where: short stacking energy: -68.723
Base-Backbone interact. energy: -0.316
local terms energy: -78.959997
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -240.466178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.466178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.466178 (E_RNA)
where:
Base-Base interactions energy: -149.514
where: short stacking energy: -84.504
Base-Backbone interact. energy: -0.127
local terms energy: -90.825598
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -22.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -138.026515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.026515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.026515 (E_RNA)
where:
Base-Base interactions energy: -59.926
where: short stacking energy: -35.537
Base-Backbone interact. energy: -0.243
local terms energy: -77.856833
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -8.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -117.395149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.395149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.395149 (E_RNA)
where:
Base-Base interactions energy: -42.819
where: short stacking energy: -35.736
Base-Backbone interact. energy: -0.401
local terms energy: -74.175280
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -22.486
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -5.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -110.492755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.492755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.492755 (E_RNA)
where:
Base-Base interactions energy: -32.028
where: short stacking energy: -30.865
Base-Backbone interact. energy: -0.035
local terms energy: -78.429604
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -20.526
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -7.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -107.784209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.784209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.784209 (E_RNA)
where:
Base-Base interactions energy: -34.235
where: short stacking energy: -34.235
Base-Backbone interact. energy: -0.166
local terms energy: -73.382959
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -120.108977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.108977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.108977 (E_RNA)
where:
Base-Base interactions energy: -58.019
where: short stacking energy: -54.748
Base-Backbone interact. energy: -0.900
local terms energy: -61.190286
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -18.975
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -9.694
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -280.667444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.667444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.667444 (E_RNA)
where:
Base-Base interactions energy: -181.793
where: short stacking energy: -84.185
Base-Backbone interact. energy: 1.234
local terms energy: -100.108907
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -25.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -300.085105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.085105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.085105 (E_RNA)
where:
Base-Base interactions energy: -204.520
where: short stacking energy: -84.000
Base-Backbone interact. energy: -0.328
local terms energy: -95.236768
where:
bonds (distance) C4'-P energy: -21.706
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -26.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -289.914458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.914458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.914458 (E_RNA)
where:
Base-Base interactions energy: -188.668
where: short stacking energy: -89.515
Base-Backbone interact. energy: -0.076
local terms energy: -101.170237
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -16.579
tors. eta vs tors. theta energy: -28.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -231.530769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.530769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.530769 (E_RNA)
where:
Base-Base interactions energy: -142.826
where: short stacking energy: -75.052
Base-Backbone interact. energy: 0.671
local terms energy: -89.375608
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -22.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -214.977123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.977123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.977123 (E_RNA)
where:
Base-Base interactions energy: -132.917
where: short stacking energy: -68.779
Base-Backbone interact. energy: -0.153
local terms energy: -81.906887
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -22.770
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -17.333
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: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -145.338756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.338756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.338756 (E_RNA)
where:
Base-Base interactions energy: -68.359
where: short stacking energy: -65.362
Base-Backbone interact. energy: -0.240
local terms energy: -76.739968
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -14.100
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: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -136.216924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.216924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.216924 (E_RNA)
where:
Base-Base interactions energy: -56.104
where: short stacking energy: -39.262
Base-Backbone interact. energy: 1.014
local terms energy: -81.127031
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -124.166185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.166185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.166185 (E_RNA)
where:
Base-Base interactions energy: -60.549
where: short stacking energy: -46.781
Base-Backbone interact. energy: -0.214
local terms energy: -63.403915
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -6.983
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: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -99.672008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.672008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.672008 (E_RNA)
where:
Base-Base interactions energy: -32.759
where: short stacking energy: -24.641
Base-Backbone interact. energy: 0.059
local terms energy: -66.972779
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -2.230
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: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -101.956010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.956010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.956010 (E_RNA)
where:
Base-Base interactions energy: -40.633
where: short stacking energy: -35.596
Base-Backbone interact. energy: 0.248
local terms energy: -61.570981
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -305.203467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.203467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.203467 (E_RNA)
where:
Base-Base interactions energy: -205.314
where: short stacking energy: -89.388
Base-Backbone interact. energy: -1.030
local terms energy: -98.859434
where:
bonds (distance) C4'-P energy: -21.220
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -24.316
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: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -297.285264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.285264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.285264 (E_RNA)
where:
Base-Base interactions energy: -202.670
where: short stacking energy: -86.944
Base-Backbone interact. energy: -0.148
local terms energy: -94.467489
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -24.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -274.516151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.516151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.516151 (E_RNA)
where:
Base-Base interactions energy: -174.664
where: short stacking energy: -97.420
Base-Backbone interact. energy: -0.016
local terms energy: -99.836381
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -22.939
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -24.624
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: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -249.293163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.293163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.293163 (E_RNA)
where:
Base-Base interactions energy: -155.358
where: short stacking energy: -80.557
Base-Backbone interact. energy: -0.101
local terms energy: -93.834545
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -22.414
flat angles P-C4'-P energy: -13.049
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: 5, replica: 1
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -145.523180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.523180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.523180 (E_RNA)
where:
Base-Base interactions energy: -68.263
where: short stacking energy: -52.967
Base-Backbone interact. energy: -0.204
local terms energy: -77.056657
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -12.774
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: 6, replica: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -204.705217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.705217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.705217 (E_RNA)
where:
Base-Base interactions energy: -111.375
where: short stacking energy: -80.457
Base-Backbone interact. energy: -0.030
local terms energy: -93.300177
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -21.942
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -23.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -136.524380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.524380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.524380 (E_RNA)
where:
Base-Base interactions energy: -53.447
where: short stacking energy: -42.615
Base-Backbone interact. energy: -0.179
local terms energy: -82.898465
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -21.014
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -8.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -105.720204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.720204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.720204 (E_RNA)
where:
Base-Base interactions energy: -43.265
where: short stacking energy: -36.124
Base-Backbone interact. energy: 0.365
local terms energy: -62.819970
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: 3.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -98.502004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.502004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.502004 (E_RNA)
where:
Base-Base interactions energy: -32.383
where: short stacking energy: -30.152
Base-Backbone interact. energy: -0.334
local terms energy: -65.784787
where:
bonds (distance) C4'-P energy: -19.951
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -2.363
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: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -102.262538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.262538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.262538 (E_RNA)
where:
Base-Base interactions energy: -40.283
where: short stacking energy: -20.848
Base-Backbone interact. energy: -0.210
local terms energy: -61.769917
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -18.568
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -311.825145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.825145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.825145 (E_RNA)
where:
Base-Base interactions energy: -204.078
where: short stacking energy: -88.080
Base-Backbone interact. energy: -1.353
local terms energy: -106.393872
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -24.055
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -19.419
tors. eta vs tors. theta energy: -25.739
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: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -302.993938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.993938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.993938 (E_RNA)
where:
Base-Base interactions energy: -204.649
where: short stacking energy: -93.453
Base-Backbone interact. energy: -0.123
local terms energy: -98.222448
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -21.853
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -24.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -270.651445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.651445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.651445 (E_RNA)
where:
Base-Base interactions energy: -174.180
where: short stacking energy: -74.372
Base-Backbone interact. energy: -0.753
local terms energy: -95.718292
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -24.218
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -243.153362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.153362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.153362 (E_RNA)
where:
Base-Base interactions energy: -149.734
where: short stacking energy: -77.787
Base-Backbone interact. energy: -0.941
local terms energy: -92.477475
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -15.060
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: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -148.867272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.867272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.867272 (E_RNA)
where:
Base-Base interactions energy: -74.906
where: short stacking energy: -56.724
Base-Backbone interact. energy: -0.139
local terms energy: -73.821334
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -11.097
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: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -201.879379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.879379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.879379 (E_RNA)
where:
Base-Base interactions energy: -114.000
where: short stacking energy: -62.915
Base-Backbone interact. energy: -0.575
local terms energy: -87.303921
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -15.670
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: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -113.527520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.527520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.527520 (E_RNA)
where:
Base-Base interactions energy: -50.242
where: short stacking energy: -46.380
Base-Backbone interact. energy: -0.167
local terms energy: -63.118217
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -124.330462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.330462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.330462 (E_RNA)
where:
Base-Base interactions energy: -50.262
where: short stacking energy: -41.502
Base-Backbone interact. energy: -0.040
local terms energy: -74.028175
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -11.305
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: 9, replica: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -117.169173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.169173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.169173 (E_RNA)
where:
Base-Base interactions energy: -47.144
where: short stacking energy: -44.655
Base-Backbone interact. energy: -0.369
local terms energy: -69.656229
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -113.318451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.318451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.318451 (E_RNA)
where:
Base-Base interactions energy: -45.916
where: short stacking energy: -35.326
Base-Backbone interact. energy: 0.100
local terms energy: -67.501904
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -6.396
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -309.559917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.559917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.559917 (E_RNA)
where:
Base-Base interactions energy: -204.178
where: short stacking energy: -87.211
Base-Backbone interact. energy: -0.060
local terms energy: -105.321192
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -20.778
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: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -288.412727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.412727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.412727 (E_RNA)
where:
Base-Base interactions energy: -199.348
where: short stacking energy: -83.597
Base-Backbone interact. energy: -0.668
local terms energy: -88.397064
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -23.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -272.753738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.753738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.753738 (E_RNA)
where:
Base-Base interactions energy: -174.393
where: short stacking energy: -74.390
Base-Backbone interact. energy: -0.152
local terms energy: -98.208781
where:
bonds (distance) C4'-P energy: -21.895
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -15.944
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: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -228.438063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.438063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.438063 (E_RNA)
where:
Base-Base interactions energy: -142.607
where: short stacking energy: -75.144
Base-Backbone interact. energy: 0.357
local terms energy: -86.187273
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -22.222
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -10.852
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: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -198.528785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.528785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.528785 (E_RNA)
where:
Base-Base interactions energy: -123.415
where: short stacking energy: -70.987
Base-Backbone interact. energy: -0.351
local terms energy: -74.762730
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -124.548851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.548851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.548851 (E_RNA)
where:
Base-Base interactions energy: -55.789
where: short stacking energy: -36.383
Base-Backbone interact. energy: -0.128
local terms energy: -68.631514
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -8.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -112.793633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.793633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.793633 (E_RNA)
where:
Base-Base interactions energy: -50.885
where: short stacking energy: -36.947
Base-Backbone interact. energy: 0.208
local terms energy: -62.115848
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: 1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -119.756879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.756879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.756879 (E_RNA)
where:
Base-Base interactions energy: -56.919
where: short stacking energy: -45.421
Base-Backbone interact. energy: 0.539
local terms energy: -63.377276
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -4.092
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: 382
Temperature: 1.300000
Total energy: -113.080006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.080006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.080006 (E_RNA)
where:
Base-Base interactions energy: -56.735
where: short stacking energy: -29.748
Base-Backbone interact. energy: -0.241
local terms energy: -56.103223
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -12.085
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: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -107.053754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.053754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.053754 (E_RNA)
where:
Base-Base interactions energy: -43.097
where: short stacking energy: -26.406
Base-Backbone interact. energy: -0.326
local terms energy: -63.630003
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -18.987
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -312.635623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.635623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.635623 (E_RNA)
where:
Base-Base interactions energy: -212.838
where: short stacking energy: -97.546
Base-Backbone interact. energy: -0.268
local terms energy: -99.529626
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -25.087
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -26.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -297.095388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.095388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.095388 (E_RNA)
where:
Base-Base interactions energy: -198.047
where: short stacking energy: -79.601
Base-Backbone interact. energy: -1.646
local terms energy: -97.402809
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -24.186
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -26.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -274.513195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.513195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.513195 (E_RNA)
where:
Base-Base interactions energy: -177.471
where: short stacking energy: -92.970
Base-Backbone interact. energy: -1.844
local terms energy: -95.197924
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -20.923
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: 4, replica: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -207.104500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.104500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.104500 (E_RNA)
where:
Base-Base interactions energy: -115.754
where: short stacking energy: -72.715
Base-Backbone interact. energy: -0.818
local terms energy: -90.532391
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -15.656
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: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -230.224920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.224920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.224920 (E_RNA)
where:
Base-Base interactions energy: -132.603
where: short stacking energy: -59.555
Base-Backbone interact. energy: -1.756
local terms energy: -95.865226
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: -12.689
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: 2
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -126.466452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.466452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.466452 (E_RNA)
where:
Base-Base interactions energy: -58.395
where: short stacking energy: -46.529
Base-Backbone interact. energy: -0.081
local terms energy: -67.990991
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -10.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -143.150174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.150174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.150174 (E_RNA)
where:
Base-Base interactions energy: -82.365
where: short stacking energy: -43.716
Base-Backbone interact. energy: -0.021
local terms energy: -60.763506
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: 2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -108.790883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.790883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.790883 (E_RNA)
where:
Base-Base interactions energy: -41.963
where: short stacking energy: -41.535
Base-Backbone interact. energy: -0.594
local terms energy: -66.233957
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -127.114286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.114286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.114286 (E_RNA)
where:
Base-Base interactions energy: -53.104
where: short stacking energy: -36.395
Base-Backbone interact. energy: -0.189
local terms energy: -73.820868
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -109.678372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.678372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.678372 (E_RNA)
where:
Base-Base interactions energy: -43.788
where: short stacking energy: -42.554
Base-Backbone interact. energy: -0.716
local terms energy: -65.174080
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -7.708
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -297.482478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.482478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.482478 (E_RNA)
where:
Base-Base interactions energy: -205.625
where: short stacking energy: -82.605
Base-Backbone interact. energy: -1.580
local terms energy: -90.277679
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -25.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -299.598548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.598548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.598548 (E_RNA)
where:
Base-Base interactions energy: -201.230
where: short stacking energy: -85.428
Base-Backbone interact. energy: -0.546
local terms energy: -97.822560
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -25.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -263.273565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.273565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.273565 (E_RNA)
where:
Base-Base interactions energy: -168.981
where: short stacking energy: -76.589
Base-Backbone interact. energy: -0.062
local terms energy: -94.230721
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -18.066
tors. eta vs tors. theta energy: -18.165
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: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -207.217772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.217772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.217772 (E_RNA)
where:
Base-Base interactions energy: -126.583
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.281
local terms energy: -80.353315
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -228.568050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.568050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.568050 (E_RNA)
where:
Base-Base interactions energy: -143.098
where: short stacking energy: -61.793
Base-Backbone interact. energy: -0.956
local terms energy: -84.513882
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -19.805
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -12.585
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: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -142.265095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.265095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.265095 (E_RNA)
where:
Base-Base interactions energy: -67.848
where: short stacking energy: -52.873
Base-Backbone interact. energy: 0.339
local terms energy: -74.755827
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -11.552
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: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -111.594868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.594868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.594868 (E_RNA)
where:
Base-Base interactions energy: -47.295
where: short stacking energy: -33.215
Base-Backbone interact. energy: -0.301
local terms energy: -63.999418
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: 0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -147.290221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.290221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.290221 (E_RNA)
where:
Base-Base interactions energy: -77.978
where: short stacking energy: -43.743
Base-Backbone interact. energy: 0.004
local terms energy: -69.316067
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -14.369
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: 9, replica: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -116.288307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.288307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.288307 (E_RNA)
where:
Base-Base interactions energy: -51.471
where: short stacking energy: -32.681
Base-Backbone interact. energy: 1.159
local terms energy: -65.976104
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -18.832
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -16.805
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: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -104.707009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.707009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.707009 (E_RNA)
where:
Base-Base interactions energy: -50.331
where: short stacking energy: -28.603
Base-Backbone interact. energy: -0.328
local terms energy: -54.048115
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: 2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -304.141811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.141811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.141811 (E_RNA)
where:
Base-Base interactions energy: -198.706
where: short stacking energy: -90.218
Base-Backbone interact. energy: -1.865
local terms energy: -103.570403
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -23.012
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -20.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -285.250692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.250692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.250692 (E_RNA)
where:
Base-Base interactions energy: -183.382
where: short stacking energy: -87.564
Base-Backbone interact. energy: -0.129
local terms energy: -101.739932
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -24.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -297.927696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.927696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.927696 (E_RNA)
where:
Base-Base interactions energy: -201.472
where: short stacking energy: -95.581
Base-Backbone interact. energy: -0.111
local terms energy: -96.345135
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -26.630
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: 385
Temperature: 1.050000
Total energy: -234.906735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.906735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.906735 (E_RNA)
where:
Base-Base interactions energy: -140.741
where: short stacking energy: -66.839
Base-Backbone interact. energy: -1.494
local terms energy: -92.672383
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -21.313
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -203.450708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.450708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.450708 (E_RNA)
where:
Base-Base interactions energy: -125.188
where: short stacking energy: -60.907
Base-Backbone interact. energy: 1.032
local terms energy: -79.295293
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -15.650
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: 6, replica: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -126.706333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.706333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.706333 (E_RNA)
where:
Base-Base interactions energy: -44.375
where: short stacking energy: -36.845
Base-Backbone interact. energy: -0.896
local terms energy: -81.435529
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -10.745
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: 7, replica: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -110.434538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.434538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.434538 (E_RNA)
where:
Base-Base interactions energy: -47.426
where: short stacking energy: -32.264
Base-Backbone interact. energy: -0.307
local terms energy: -62.700998
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -14.715
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: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -153.216542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.216542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.216542 (E_RNA)
where:
Base-Base interactions energy: -87.876
where: short stacking energy: -48.689
Base-Backbone interact. energy: 1.196
local terms energy: -66.536553
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -7.968
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: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -109.129987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.129987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.129987 (E_RNA)
where:
Base-Base interactions energy: -35.858
where: short stacking energy: -31.518
Base-Backbone interact. energy: -0.137
local terms energy: -73.135152
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -21.779
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -96.665042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.665042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.665042 (E_RNA)
where:
Base-Base interactions energy: -42.011
where: short stacking energy: -41.833
Base-Backbone interact. energy: 5.568
local terms energy: -60.221840
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -6.973
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -295.576022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.576022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.576022 (E_RNA)
where:
Base-Base interactions energy: -199.752
where: short stacking energy: -89.341
Base-Backbone interact. energy: -0.944
local terms energy: -94.879369
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -12.876
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: 2, replica: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -277.345632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.345632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.345632 (E_RNA)
where:
Base-Base interactions energy: -183.940
where: short stacking energy: -83.571
Base-Backbone interact. energy: -0.348
local terms energy: -93.057909
where:
bonds (distance) C4'-P energy: -22.386
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -20.439
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: 3, replica: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -289.512974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.512974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.512974 (E_RNA)
where:
Base-Base interactions energy: -187.984
where: short stacking energy: -92.636
Base-Backbone interact. energy: -1.534
local terms energy: -99.994810
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -23.577
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: 4, replica: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -240.627783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.627783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.627783 (E_RNA)
where:
Base-Base interactions energy: -158.280
where: short stacking energy: -72.985
Base-Backbone interact. energy: -0.730
local terms energy: -81.617809
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -12.442
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: 5, replica: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -189.780776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.780776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.780776 (E_RNA)
where:
Base-Base interactions energy: -113.353
where: short stacking energy: -63.514
Base-Backbone interact. energy: 1.189
local terms energy: -77.617112
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -14.481
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: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -132.936636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.936636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.936636 (E_RNA)
where:
Base-Base interactions energy: -63.666
where: short stacking energy: -45.613
Base-Backbone interact. energy: -0.094
local terms energy: -69.176571
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -9.889
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: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -183.287016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.287016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.287016 (E_RNA)
where:
Base-Base interactions energy: -98.251
where: short stacking energy: -53.710
Base-Backbone interact. energy: -1.436
local terms energy: -83.599925
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -12.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -106.126127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.126127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.126127 (E_RNA)
where:
Base-Base interactions energy: -32.033
where: short stacking energy: -26.935
Base-Backbone interact. energy: -0.301
local terms energy: -73.791576
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -21.302
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -7.158
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: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -120.736577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.736577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.736577 (E_RNA)
where:
Base-Base interactions energy: -47.420
where: short stacking energy: -34.988
Base-Backbone interact. energy: -0.213
local terms energy: -73.104194
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -8.719
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: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -107.662486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.662486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.662486 (E_RNA)
where:
Base-Base interactions energy: -43.302
where: short stacking energy: -39.816
Base-Backbone interact. energy: -1.096
local terms energy: -63.265160
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -8.867
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -299.126891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.126891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.126891 (E_RNA)
where:
Base-Base interactions energy: -204.572
where: short stacking energy: -83.814
Base-Backbone interact. energy: -0.198
local terms energy: -94.356778
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -20.491
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -21.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -299.764759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.764759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.764759 (E_RNA)
where:
Base-Base interactions energy: -200.894
where: short stacking energy: -83.980
Base-Backbone interact. energy: -0.483
local terms energy: -98.388138
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -27.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -279.628220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.628220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.628220 (E_RNA)
where:
Base-Base interactions energy: -181.648
where: short stacking energy: -87.752
Base-Backbone interact. energy: -0.009
local terms energy: -97.970738
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -19.140
flat angles C4'-P-C4' energy: -18.953
flat angles P-C4'-P energy: -17.015
tors. eta vs tors. theta energy: -24.983
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: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -210.154575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.154575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.154575 (E_RNA)
where:
Base-Base interactions energy: -116.948
where: short stacking energy: -68.599
Base-Backbone interact. energy: -1.210
local terms energy: -91.996679
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -244.737668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.737668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.737668 (E_RNA)
where:
Base-Base interactions energy: -155.016
where: short stacking energy: -73.072
Base-Backbone interact. energy: -0.234
local terms energy: -89.487344
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -218.821282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.821282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.821282 (E_RNA)
where:
Base-Base interactions energy: -131.739
where: short stacking energy: -70.463
Base-Backbone interact. energy: -0.470
local terms energy: -86.611953
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -23.168
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -131.470297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.470297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.470297 (E_RNA)
where:
Base-Base interactions energy: -55.176
where: short stacking energy: -42.391
Base-Backbone interact. energy: 0.038
local terms energy: -76.331854
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -120.620917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.620917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.620917 (E_RNA)
where:
Base-Base interactions energy: -54.599
where: short stacking energy: -37.300
Base-Backbone interact. energy: 0.721
local terms energy: -66.743090
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -115.644263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.644263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.644263 (E_RNA)
where:
Base-Base interactions energy: -50.964
where: short stacking energy: -50.964
Base-Backbone interact. energy: -0.138
local terms energy: -64.541610
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -103.271357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.271357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.271357 (E_RNA)
where:
Base-Base interactions energy: -35.064
where: short stacking energy: -31.941
Base-Backbone interact. energy: -0.752
local terms energy: -67.455681
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: 2.198
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -307.597374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.597374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.597374 (E_RNA)
where:
Base-Base interactions energy: -213.878
where: short stacking energy: -95.164
Base-Backbone interact. energy: -0.209
local terms energy: -93.510212
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -20.572
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -22.468
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: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -306.920640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.920640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.920640 (E_RNA)
where:
Base-Base interactions energy: -204.781
where: short stacking energy: -94.040
Base-Backbone interact. energy: -1.487
local terms energy: -100.652918
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -26.954
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: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -281.525714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.525714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.525714 (E_RNA)
where:
Base-Base interactions energy: -179.441
where: short stacking energy: -101.048
Base-Backbone interact. energy: 0.104
local terms energy: -102.188627
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -18.925
flat angles C4'-P-C4' energy: -22.333
flat angles P-C4'-P energy: -16.719
tors. eta vs tors. theta energy: -23.577
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: 4, replica: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -210.008133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.008133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.008133 (E_RNA)
where:
Base-Base interactions energy: -117.642
where: short stacking energy: -68.062
Base-Backbone interact. energy: -0.954
local terms energy: -91.412276
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -227.263136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.263136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.263136 (E_RNA)
where:
Base-Base interactions energy: -137.306
where: short stacking energy: -64.359
Base-Backbone interact. energy: -0.591
local terms energy: -89.365978
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -191.446583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.446583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.446583 (E_RNA)
where:
Base-Base interactions energy: -121.770
where: short stacking energy: -55.011
Base-Backbone interact. energy: -0.248
local terms energy: -69.427955
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -7.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -114.758558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.758558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.758558 (E_RNA)
where:
Base-Base interactions energy: -42.773
where: short stacking energy: -36.236
Base-Backbone interact. energy: 0.464
local terms energy: -72.449931
where:
bonds (distance) C4'-P energy: -22.069
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -111.094630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.094630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.094630 (E_RNA)
where:
Base-Base interactions energy: -48.615
where: short stacking energy: -31.451
Base-Backbone interact. energy: -0.229
local terms energy: -62.250988
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: 1.971
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: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -135.993778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.993778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.993778 (E_RNA)
where:
Base-Base interactions energy: -82.272
where: short stacking energy: -47.630
Base-Backbone interact. energy: -0.187
local terms energy: -53.535150
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -0.191
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -104.402561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.402561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.402561 (E_RNA)
where:
Base-Base interactions energy: -43.926
where: short stacking energy: -29.816
Base-Backbone interact. energy: 2.170
local terms energy: -62.646531
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -1.970
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -306.378487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.378487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.378487 (E_RNA)
where:
Base-Base interactions energy: -204.926
where: short stacking energy: -94.805
Base-Backbone interact. energy: -0.890
local terms energy: -100.562854
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -25.061
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: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -288.334555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.334555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.334555 (E_RNA)
where:
Base-Base interactions energy: -185.131
where: short stacking energy: -94.068
Base-Backbone interact. energy: -0.080
local terms energy: -103.123068
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -30.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -295.402962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.402962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.402962 (E_RNA)
where:
Base-Base interactions energy: -202.741
where: short stacking energy: -92.130
Base-Backbone interact. energy: -0.937
local terms energy: -91.725315
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -27.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -238.074559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.074559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.074559 (E_RNA)
where:
Base-Base interactions energy: -153.463
where: short stacking energy: -68.964
Base-Backbone interact. energy: -0.853
local terms energy: -83.757685
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -10.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -189.019575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.019575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.019575 (E_RNA)
where:
Base-Base interactions energy: -107.442
where: short stacking energy: -64.426
Base-Backbone interact. energy: -0.288
local terms energy: -81.289667
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -11.715
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: 6, replica: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -181.244461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.244461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.244461 (E_RNA)
where:
Base-Base interactions energy: -102.216
where: short stacking energy: -61.602
Base-Backbone interact. energy: -1.513
local terms energy: -77.515127
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -10.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -118.717718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.717718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.717718 (E_RNA)
where:
Base-Base interactions energy: -52.924
where: short stacking energy: -52.924
Base-Backbone interact. energy: -0.294
local terms energy: -65.500365
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -3.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -117.545039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.545039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.545039 (E_RNA)
where:
Base-Base interactions energy: -55.405
where: short stacking energy: -38.306
Base-Backbone interact. energy: -0.409
local terms energy: -61.730960
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -4.478
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -114.887081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.887081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.887081 (E_RNA)
where:
Base-Base interactions energy: -40.029
where: short stacking energy: -25.184
Base-Backbone interact. energy: -0.326
local terms energy: -74.531205
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -10.426
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: 10, replica: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -137.787135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.787135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.787135 (E_RNA)
where:
Base-Base interactions energy: -69.474
where: short stacking energy: -33.481
Base-Backbone interact. energy: -0.477
local terms energy: -67.836191
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -4.855
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -306.456119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.456119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.456119 (E_RNA)
where:
Base-Base interactions energy: -207.127
where: short stacking energy: -86.593
Base-Backbone interact. energy: -0.157
local terms energy: -99.171967
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -23.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -288.418388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.418388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.418388 (E_RNA)
where:
Base-Base interactions energy: -181.746
where: short stacking energy: -92.256
Base-Backbone interact. energy: -0.642
local terms energy: -106.031058
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -26.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -289.487447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.487447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.487447 (E_RNA)
where:
Base-Base interactions energy: -193.285
where: short stacking energy: -89.514
Base-Backbone interact. energy: -0.696
local terms energy: -95.506730
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -23.448
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -25.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -251.828521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.828521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.828521 (E_RNA)
where:
Base-Base interactions energy: -157.404
where: short stacking energy: -77.338
Base-Backbone interact. energy: -1.738
local terms energy: -92.686422
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -20.395
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -20.087
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: 3
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -207.362650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.362650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.362650 (E_RNA)
where:
Base-Base interactions energy: -123.335
where: short stacking energy: -61.996
Base-Backbone interact. energy: -1.156
local terms energy: -82.871869
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -16.101
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: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -186.296181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.296181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.296181 (E_RNA)
where:
Base-Base interactions energy: -105.881
where: short stacking energy: -67.754
Base-Backbone interact. energy: -0.221
local terms energy: -80.194173
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -15.317
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: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -120.136484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.136484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.136484 (E_RNA)
where:
Base-Base interactions energy: -46.355
where: short stacking energy: -44.918
Base-Backbone interact. energy: -0.226
local terms energy: -73.556025
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -124.206133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.206133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.206133 (E_RNA)
where:
Base-Base interactions energy: -57.215
where: short stacking energy: -44.958
Base-Backbone interact. energy: -0.800
local terms energy: -66.191630
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -106.727666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.727666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.727666 (E_RNA)
where:
Base-Base interactions energy: -40.743
where: short stacking energy: -40.493
Base-Backbone interact. energy: -0.324
local terms energy: -65.661592
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -114.102320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.102320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.102320 (E_RNA)
where:
Base-Base interactions energy: -41.096
where: short stacking energy: -39.237
Base-Backbone interact. energy: -0.460
local terms energy: -72.546934
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -6.128
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -292.129028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.129028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.129028 (E_RNA)
where:
Base-Base interactions energy: -188.248
where: short stacking energy: -92.807
Base-Backbone interact. energy: -1.120
local terms energy: -102.760641
where:
bonds (distance) C4'-P energy: -21.242
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -25.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -283.480844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.480844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.480844 (E_RNA)
where:
Base-Base interactions energy: -186.392
where: short stacking energy: -88.647
Base-Backbone interact. energy: -0.317
local terms energy: -96.772408
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -27.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -256.593822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.593822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.593822 (E_RNA)
where:
Base-Base interactions energy: -159.194
where: short stacking energy: -91.712
Base-Backbone interact. energy: 0.270
local terms energy: -97.670612
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -24.657
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -22.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -233.184938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.184938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.184938 (E_RNA)
where:
Base-Base interactions energy: -150.678
where: short stacking energy: -82.782
Base-Backbone interact. energy: 0.027
local terms energy: -82.534464
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -206.534856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.534856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.534856 (E_RNA)
where:
Base-Base interactions energy: -122.712
where: short stacking energy: -73.781
Base-Backbone interact. energy: -0.934
local terms energy: -82.888553
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -172.437849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.437849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.437849 (E_RNA)
where:
Base-Base interactions energy: -111.984
where: short stacking energy: -57.432
Base-Backbone interact. energy: -0.481
local terms energy: -59.973005
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -10.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -137.314011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.314011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.314011 (E_RNA)
where:
Base-Base interactions energy: -57.212
where: short stacking energy: -46.940
Base-Backbone interact. energy: -0.283
local terms energy: -79.818726
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -9.072
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: 391
Temperature: 1.250000
Total energy: -109.284046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.284046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.284046 (E_RNA)
where:
Base-Base interactions energy: -51.796
where: short stacking energy: -34.341
Base-Backbone interact. energy: 1.934
local terms energy: -59.422095
where:
bonds (distance) C4'-P energy: -8.600
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -108.694319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.694319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.694319 (E_RNA)
where:
Base-Base interactions energy: -40.861
where: short stacking energy: -34.646
Base-Backbone interact. energy: -0.275
local terms energy: -67.558620
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -106.112878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.112878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.112878 (E_RNA)
where:
Base-Base interactions energy: -47.510
where: short stacking energy: -29.328
Base-Backbone interact. energy: -0.254
local terms energy: -58.349291
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: 4.820
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -298.716778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.716778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.716778 (E_RNA)
where:
Base-Base interactions energy: -192.586
where: short stacking energy: -86.770
Base-Backbone interact. energy: -1.060
local terms energy: -105.070958
where:
bonds (distance) C4'-P energy: -20.739
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -26.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -304.234747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.234747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.234747 (E_RNA)
where:
Base-Base interactions energy: -201.622
where: short stacking energy: -90.573
Base-Backbone interact. energy: -0.228
local terms energy: -102.385103
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -24.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -253.394793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.394793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.394793 (E_RNA)
where:
Base-Base interactions energy: -162.930
where: short stacking energy: -89.732
Base-Backbone interact. energy: -0.158
local terms energy: -90.306915
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -22.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -250.994773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.994773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.994773 (E_RNA)
where:
Base-Base interactions energy: -161.088
where: short stacking energy: -76.937
Base-Backbone interact. energy: -0.744
local terms energy: -89.163602
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -20.561
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -179.406739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.406739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.406739 (E_RNA)
where:
Base-Base interactions energy: -97.745
where: short stacking energy: -56.563
Base-Backbone interact. energy: -0.078
local terms energy: -81.583910
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -10.715
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: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -191.187152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.187152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.187152 (E_RNA)
where:
Base-Base interactions energy: -107.869
where: short stacking energy: -61.489
Base-Backbone interact. energy: -0.497
local terms energy: -82.821592
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -9.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -126.916903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.916903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.916903 (E_RNA)
where:
Base-Base interactions energy: -63.238
where: short stacking energy: -37.778
Base-Backbone interact. energy: 0.999
local terms energy: -64.678423
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -109.013749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.013749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.013749 (E_RNA)
where:
Base-Base interactions energy: -31.793
where: short stacking energy: -21.032
Base-Backbone interact. energy: -1.202
local terms energy: -76.018568
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -1.959
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: 2
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -107.280261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.280261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.280261 (E_RNA)
where:
Base-Base interactions energy: -37.589
where: short stacking energy: -35.344
Base-Backbone interact. energy: 0.288
local terms energy: -69.979666
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -11.741
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: 10, replica: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -99.947040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.947040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.947040 (E_RNA)
where:
Base-Base interactions energy: -47.125
where: short stacking energy: -42.913
Base-Backbone interact. energy: 0.099
local terms energy: -52.921325
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -0.636
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -298.832534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.832534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.832534 (E_RNA)
where:
Base-Base interactions energy: -195.060
where: short stacking energy: -94.761
Base-Backbone interact. energy: -0.569
local terms energy: -103.204087
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -17.888
tors. eta vs tors. theta energy: -24.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -305.349388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.349388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.349388 (E_RNA)
where:
Base-Base interactions energy: -202.300
where: short stacking energy: -82.876
Base-Backbone interact. energy: -0.671
local terms energy: -102.378254
where:
bonds (distance) C4'-P energy: -22.344
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -21.527
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -25.007
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: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -245.518733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.518733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.518733 (E_RNA)
where:
Base-Base interactions energy: -149.986
where: short stacking energy: -75.451
Base-Backbone interact. energy: -3.264
local terms energy: -92.268780
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -18.737
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -18.639
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: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -261.672532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.672532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.672532 (E_RNA)
where:
Base-Base interactions energy: -168.971
where: short stacking energy: -73.959
Base-Backbone interact. energy: -0.009
local terms energy: -92.692287
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -21.385
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: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -189.992697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.992697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.992697 (E_RNA)
where:
Base-Base interactions energy: -117.176
where: short stacking energy: -60.237
Base-Backbone interact. energy: -0.890
local terms energy: -71.926785
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -6.486
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: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -170.228139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.228139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.228139 (E_RNA)
where:
Base-Base interactions energy: -100.071
where: short stacking energy: -41.780
Base-Backbone interact. energy: -0.211
local terms energy: -69.945909
where:
bonds (distance) C4'-P energy: -20.803
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -7.418
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: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -190.247432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.247432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.247432 (E_RNA)
where:
Base-Base interactions energy: -121.348
where: short stacking energy: -51.044
Base-Backbone interact. energy: 0.457
local terms energy: -69.356773
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -11.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -123.705942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.705942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.705942 (E_RNA)
where:
Base-Base interactions energy: -63.504
where: short stacking energy: -48.529
Base-Backbone interact. energy: -0.264
local terms energy: -59.937936
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -4.506
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: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -104.103164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.103164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.103164 (E_RNA)
where:
Base-Base interactions energy: -40.023
where: short stacking energy: -32.508
Base-Backbone interact. energy: -0.047
local terms energy: -64.032707
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -97.885522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.885522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.885522 (E_RNA)
where:
Base-Base interactions energy: -32.019
where: short stacking energy: -30.430
Base-Backbone interact. energy: -0.258
local terms energy: -65.608918
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: 1.445
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -302.827932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.827932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.827932 (E_RNA)
where:
Base-Base interactions energy: -204.851
where: short stacking energy: -95.099
Base-Backbone interact. energy: -0.375
local terms energy: -97.601727
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -22.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -291.414151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.414151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.414151 (E_RNA)
where:
Base-Base interactions energy: -199.204
where: short stacking energy: -95.509
Base-Backbone interact. energy: -1.180
local terms energy: -91.029700
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -30.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -277.609770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.609770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.609770 (E_RNA)
where:
Base-Base interactions energy: -179.317
where: short stacking energy: -87.661
Base-Backbone interact. energy: -0.025
local terms energy: -98.267532
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -19.307
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -24.964
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: 4, replica: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -279.768497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.768497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.768497 (E_RNA)
where:
Base-Base interactions energy: -189.054
where: short stacking energy: -82.861
Base-Backbone interact. energy: 1.711
local terms energy: -92.425824
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -17.598
tors. eta vs tors. theta energy: -21.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -214.823946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.823946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.823946 (E_RNA)
where:
Base-Base interactions energy: -118.562
where: short stacking energy: -71.758
Base-Backbone interact. energy: 0.819
local terms energy: -97.080700
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -21.953
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -21.592
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: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -166.849123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.849123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.849123 (E_RNA)
where:
Base-Base interactions energy: -87.728
where: short stacking energy: -56.970
Base-Backbone interact. energy: -0.383
local terms energy: -78.737980
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -14.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -126.633729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.633729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.633729 (E_RNA)
where:
Base-Base interactions energy: -61.257
where: short stacking energy: -39.855
Base-Backbone interact. energy: -0.149
local terms energy: -65.227725
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -2.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -165.699390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.699390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.699390 (E_RNA)
where:
Base-Base interactions energy: -95.664
where: short stacking energy: -55.565
Base-Backbone interact. energy: -0.235
local terms energy: -69.799735
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -9.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -118.533711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.533711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.533711 (E_RNA)
where:
Base-Base interactions energy: -60.663
where: short stacking energy: -31.273
Base-Backbone interact. energy: 0.127
local terms energy: -57.997449
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -9.415
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: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -95.988805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.988805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.988805 (E_RNA)
where:
Base-Base interactions energy: -32.436
where: short stacking energy: -25.778
Base-Backbone interact. energy: 1.254
local terms energy: -64.807637
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -304.476141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.476141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.476141 (E_RNA)
where:
Base-Base interactions energy: -203.729
where: short stacking energy: -85.618
Base-Backbone interact. energy: -0.129
local terms energy: -100.617785
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -21.570
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -25.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -294.090584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.090584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.090584 (E_RNA)
where:
Base-Base interactions energy: -195.321
where: short stacking energy: -94.851
Base-Backbone interact. energy: -0.695
local terms energy: -98.074668
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -25.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -268.315317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.315317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.315317 (E_RNA)
where:
Base-Base interactions energy: -168.690
where: short stacking energy: -79.009
Base-Backbone interact. energy: -0.293
local terms energy: -99.332797
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -19.923
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: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -278.489948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.489948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.489948 (E_RNA)
where:
Base-Base interactions energy: -186.601
where: short stacking energy: -84.418
Base-Backbone interact. energy: -0.464
local terms energy: -91.425400
where:
bonds (distance) C4'-P energy: -23.283
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -216.001784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.001784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.001784 (E_RNA)
where:
Base-Base interactions energy: -124.393
where: short stacking energy: -71.449
Base-Backbone interact. energy: -0.209
local terms energy: -91.399173
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -21.184
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -162.681590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.681590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.681590 (E_RNA)
where:
Base-Base interactions energy: -89.248
where: short stacking energy: -48.673
Base-Backbone interact. energy: -0.084
local terms energy: -73.349362
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -21.487
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -9.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -123.447112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.447112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.447112 (E_RNA)
where:
Base-Base interactions energy: -42.858
where: short stacking energy: -37.590
Base-Backbone interact. energy: -0.879
local terms energy: -79.709654
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -22.320
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -159.958427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.958427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.958427 (E_RNA)
where:
Base-Base interactions energy: -94.176
where: short stacking energy: -34.162
Base-Backbone interact. energy: -1.463
local terms energy: -64.319523
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: 0.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -100.900510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.900510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.900510 (E_RNA)
where:
Base-Base interactions energy: -32.837
where: short stacking energy: -21.315
Base-Backbone interact. energy: -0.037
local terms energy: -68.025899
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -112.013652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.013652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.013652 (E_RNA)
where:
Base-Base interactions energy: -46.133
where: short stacking energy: -36.959
Base-Backbone interact. energy: -1.337
local terms energy: -64.543220
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: 0.273
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -311.213382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.213382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.213382 (E_RNA)
where:
Base-Base interactions energy: -204.943
where: short stacking energy: -103.804
Base-Backbone interact. energy: 0.129
local terms energy: -106.399901
where:
bonds (distance) C4'-P energy: -21.908
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -20.346
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -28.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -295.031798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.031798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.031798 (E_RNA)
where:
Base-Base interactions energy: -196.942
where: short stacking energy: -91.069
Base-Backbone interact. energy: -0.823
local terms energy: -97.267003
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -22.535
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -26.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -286.829787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.829787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.829787 (E_RNA)
where:
Base-Base interactions energy: -187.596
where: short stacking energy: -86.441
Base-Backbone interact. energy: -0.474
local terms energy: -98.759846
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -23.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -259.998646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.998646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.998646 (E_RNA)
where:
Base-Base interactions energy: -167.230
where: short stacking energy: -64.308
Base-Backbone interact. energy: -2.225
local terms energy: -90.544080
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -18.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -212.135120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.135120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.135120 (E_RNA)
where:
Base-Base interactions energy: -125.013
where: short stacking energy: -71.054
Base-Backbone interact. energy: -0.105
local terms energy: -87.018011
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -20.098
flat angles P-C4'-P energy: -11.842
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: 6, replica: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -165.453923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.453923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.453923 (E_RNA)
where:
Base-Base interactions energy: -96.700
where: short stacking energy: -51.834
Base-Backbone interact. energy: -0.216
local terms energy: -68.537864
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -7.895
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: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -187.967813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.967813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.967813 (E_RNA)
where:
Base-Base interactions energy: -113.795
where: short stacking energy: -47.071
Base-Backbone interact. energy: 0.922
local terms energy: -75.094908
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -12.388
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: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -112.703309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.703309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.703309 (E_RNA)
where:
Base-Base interactions energy: -61.622
where: short stacking energy: -38.477
Base-Backbone interact. energy: -0.118
local terms energy: -50.963231
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: 6.511
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: 396
Temperature: 1.300000
Total energy: -110.716534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.716534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.716534 (E_RNA)
where:
Base-Base interactions energy: -36.979
where: short stacking energy: -29.230
Base-Backbone interact. energy: -0.192
local terms energy: -73.546016
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -2.341
tors. eta vs tors. theta energy: -8.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -97.860607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.860607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.860607 (E_RNA)
where:
Base-Base interactions energy: -36.935
where: short stacking energy: -36.029
Base-Backbone interact. energy: -0.215
local terms energy: -60.710769
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -4.688
tors. eta vs tors. theta energy: -3.249
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -304.056891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.056891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.056891 (E_RNA)
where:
Base-Base interactions energy: -199.690
where: short stacking energy: -91.240
Base-Backbone interact. energy: -0.749
local terms energy: -103.617324
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -21.430
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: -22.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -299.638842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.638842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.638842 (E_RNA)
where:
Base-Base interactions energy: -197.059
where: short stacking energy: -90.120
Base-Backbone interact. energy: 0.103
local terms energy: -102.682952
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -27.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -288.938354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.938354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.938354 (E_RNA)
where:
Base-Base interactions energy: -188.740
where: short stacking energy: -85.337
Base-Backbone interact. energy: -0.289
local terms energy: -99.909583
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -21.667
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -24.638
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: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -271.139062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.139062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.139062 (E_RNA)
where:
Base-Base interactions energy: -173.402
where: short stacking energy: -84.570
Base-Backbone interact. energy: -0.164
local terms energy: -97.572744
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -21.561
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: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -199.709909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.709909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.709909 (E_RNA)
where:
Base-Base interactions energy: -109.985
where: short stacking energy: -76.762
Base-Backbone interact. energy: -0.324
local terms energy: -89.400939
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -200.983166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.983166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.983166 (E_RNA)
where:
Base-Base interactions energy: -110.972
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.151
local terms energy: -89.860236
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -24.836
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -136.598758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.598758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.598758 (E_RNA)
where:
Base-Base interactions energy: -60.370
where: short stacking energy: -45.011
Base-Backbone interact. energy: -0.604
local terms energy: -75.624668
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -9.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -111.772687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.772687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.772687 (E_RNA)
where:
Base-Base interactions energy: -41.141
where: short stacking energy: -38.199
Base-Backbone interact. energy: -0.146
local terms energy: -70.486192
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -105.745289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.745289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.745289 (E_RNA)
where:
Base-Base interactions energy: -43.032
where: short stacking energy: -42.835
Base-Backbone interact. energy: 1.744
local terms energy: -64.456488
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -0.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -111.075833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.075833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.075833 (E_RNA)
where:
Base-Base interactions energy: -48.698
where: short stacking energy: -36.517
Base-Backbone interact. energy: 0.205
local terms energy: -62.582381
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -3.272
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -302.466366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.466366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.466366 (E_RNA)
where:
Base-Base interactions energy: -200.706
where: short stacking energy: -91.834
Base-Backbone interact. energy: -1.753
local terms energy: -100.007051
where:
bonds (distance) C4'-P energy: -21.884
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -20.926
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -24.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -285.671989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.671989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.671989 (E_RNA)
where:
Base-Base interactions energy: -179.721
where: short stacking energy: -83.522
Base-Backbone interact. energy: -0.054
local terms energy: -105.897405
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -23.172
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -24.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -274.459309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.459309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.459309 (E_RNA)
where:
Base-Base interactions energy: -172.802
where: short stacking energy: -85.306
Base-Backbone interact. energy: -0.959
local terms energy: -100.698248
where:
bonds (distance) C4'-P energy: -22.502
bonds (distance) P-C4' energy: -21.126
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -24.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -276.099663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.099663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.099663 (E_RNA)
where:
Base-Base interactions energy: -183.526
where: short stacking energy: -76.674
Base-Backbone interact. energy: 1.596
local terms energy: -94.169273
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -205.798729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.798729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.798729 (E_RNA)
where:
Base-Base interactions energy: -112.206
where: short stacking energy: -67.707
Base-Backbone interact. energy: -0.209
local terms energy: -93.383444
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -179.992038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.992038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.992038 (E_RNA)
where:
Base-Base interactions energy: -93.619
where: short stacking energy: -58.188
Base-Backbone interact. energy: -2.689
local terms energy: -83.683705
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -22.866
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -12.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -126.803371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.803371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.803371 (E_RNA)
where:
Base-Base interactions energy: -55.151
where: short stacking energy: -50.291
Base-Backbone interact. energy: 2.666
local terms energy: -74.318709
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -9.745
flat angles C4'-P-C4' energy: -22.173
flat angles P-C4'-P energy: -11.661
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: 398
Temperature: 1.250000
Total energy: -136.616533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.616533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.616533 (E_RNA)
where:
Base-Base interactions energy: -54.170
where: short stacking energy: -54.170
Base-Backbone interact. energy: -0.005
local terms energy: -82.442162
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -14.390
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: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -107.762541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.762541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.762541 (E_RNA)
where:
Base-Base interactions energy: -40.409
where: short stacking energy: -37.946
Base-Backbone interact. energy: 1.915
local terms energy: -69.268876
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -93.860617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.860617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.860617 (E_RNA)
where:
Base-Base interactions energy: -25.805
where: short stacking energy: -23.838
Base-Backbone interact. energy: 0.194
local terms energy: -68.249488
where:
bonds (distance) C4'-P energy: -21.681
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -300.934930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.934930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.934930 (E_RNA)
where:
Base-Base interactions energy: -199.089
where: short stacking energy: -91.062
Base-Backbone interact. energy: -0.235
local terms energy: -101.610609
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -16.903
tors. eta vs tors. theta energy: -22.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -277.625138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.625138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.625138 (E_RNA)
where:
Base-Base interactions energy: -179.066
where: short stacking energy: -85.253
Base-Backbone interact. energy: -1.596
local terms energy: -96.963176
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -18.882
flat angles C4'-P-C4' energy: -22.202
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -25.496
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: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -279.538040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.538040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.538040 (E_RNA)
where:
Base-Base interactions energy: -188.249
where: short stacking energy: -89.773
Base-Backbone interact. energy: -1.117
local terms energy: -90.172293
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -19.988
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -23.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -280.378661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.378661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.378661 (E_RNA)
where:
Base-Base interactions energy: -184.825
where: short stacking energy: -68.112
Base-Backbone interact. energy: -2.644
local terms energy: -92.909761
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -21.412
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -186.770670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.770670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.770670 (E_RNA)
where:
Base-Base interactions energy: -106.670
where: short stacking energy: -67.865
Base-Backbone interact. energy: -0.559
local terms energy: -79.541674
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -14.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -190.784840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.784840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.784840 (E_RNA)
where:
Base-Base interactions energy: -109.451
where: short stacking energy: -69.376
Base-Backbone interact. energy: -0.009
local terms energy: -81.324262
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -22.490
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -19.117
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: 399
Temperature: 1.200000
Total energy: -135.726700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.726700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.726700 (E_RNA)
where:
Base-Base interactions energy: -69.679
where: short stacking energy: -46.815
Base-Backbone interact. energy: -0.187
local terms energy: -65.860571
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -4.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -117.156414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.156414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.156414 (E_RNA)
where:
Base-Base interactions energy: -52.197
where: short stacking energy: -37.088
Base-Backbone interact. energy: -0.470
local terms energy: -64.489825
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -21.238
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -2.264
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: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -101.409132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.409132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.409132 (E_RNA)
where:
Base-Base interactions energy: -41.466
where: short stacking energy: -38.046
Base-Backbone interact. energy: -0.322
local terms energy: -59.621346
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: 2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -105.108399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.108399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.108399 (E_RNA)
where:
Base-Base interactions energy: -38.798
where: short stacking energy: -38.703
Base-Backbone interact. energy: -0.127
local terms energy: -66.183717
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -302.728006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.728006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.728006 (E_RNA)
where:
Base-Base interactions energy: -197.216
where: short stacking energy: -94.484
Base-Backbone interact. energy: -0.870
local terms energy: -104.642175
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -24.388
flat angles P-C4'-P energy: -18.947
tors. eta vs tors. theta energy: -26.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -267.505441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.505441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.505441 (E_RNA)
where:
Base-Base interactions energy: -172.953
where: short stacking energy: -79.233
Base-Backbone interact. energy: -1.229
local terms energy: -93.323172
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -25.549
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: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -297.496880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.496880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.496880 (E_RNA)
where:
Base-Base interactions energy: -189.322
where: short stacking energy: -94.555
Base-Backbone interact. energy: 0.691
local terms energy: -108.865845
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -23.220
flat angles C4'-P-C4' energy: -24.795
flat angles P-C4'-P energy: -14.362
tors. eta vs tors. theta energy: -26.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -262.619130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.619130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.619130 (E_RNA)
where:
Base-Base interactions energy: -168.806
where: short stacking energy: -70.741
Base-Backbone interact. energy: 0.030
local terms energy: -93.842325
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -20.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -203.013537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.013537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.013537 (E_RNA)
where:
Base-Base interactions energy: -118.977
where: short stacking energy: -63.833
Base-Backbone interact. energy: 0.388
local terms energy: -84.424625
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -165.473742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.473742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.473742 (E_RNA)
where:
Base-Base interactions energy: -81.972
where: short stacking energy: -50.857
Base-Backbone interact. energy: -0.431
local terms energy: -83.071178
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -3.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -120.640161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.640161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.640161 (E_RNA)
where:
Base-Base interactions energy: -51.758
where: short stacking energy: -36.994
Base-Backbone interact. energy: -0.347
local terms energy: -68.535164
where:
bonds (distance) C4'-P energy: -20.622
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -5.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -117.961937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.961937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.961937 (E_RNA)
where:
Base-Base interactions energy: -53.363
where: short stacking energy: -47.571
Base-Backbone interact. energy: -0.214
local terms energy: -64.384703
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -111.549272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.549272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.549272 (E_RNA)
where:
Base-Base interactions energy: -48.879
where: short stacking energy: -41.244
Base-Backbone interact. energy: -0.172
local terms energy: -62.498933
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -7.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -99.683447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.683447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.683447 (E_RNA)
where:
Base-Base interactions energy: -28.009
where: short stacking energy: -27.374
Base-Backbone interact. energy: -0.285
local terms energy: -71.388859
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -21.388
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -15.518
tors. eta vs tors. theta energy: 0.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -300.773741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.773741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.773741 (E_RNA)
where:
Base-Base interactions energy: -201.272
where: short stacking energy: -89.600
Base-Backbone interact. energy: -0.055
local terms energy: -99.447198
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -23.373
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: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -290.766780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.766780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.766780 (E_RNA)
where:
Base-Base interactions energy: -199.673
where: short stacking energy: -85.737
Base-Backbone interact. energy: -0.135
local terms energy: -90.959666
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: -22.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -280.014515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.014515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.014515 (E_RNA)
where:
Base-Base interactions energy: -175.173
where: short stacking energy: -89.222
Base-Backbone interact. energy: -1.430
local terms energy: -103.411514
where:
bonds (distance) C4'-P energy: -22.220
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -27.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -275.088009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.088009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.088009 (E_RNA)
where:
Base-Base interactions energy: -189.582
where: short stacking energy: -82.768
Base-Backbone interact. energy: -0.241
local terms energy: -85.265277
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -18.346
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: 5, replica: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -176.769914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.769914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.769914 (E_RNA)
where:
Base-Base interactions energy: -102.310
where: short stacking energy: -63.906
Base-Backbone interact. energy: -0.423
local terms energy: -74.037492
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -12.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -203.365724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.365724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.365724 (E_RNA)
where:
Base-Base interactions energy: -124.091
where: short stacking energy: -68.126
Base-Backbone interact. energy: 0.326
local terms energy: -79.600446
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -118.659413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.659413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.659413 (E_RNA)
where:
Base-Base interactions energy: -42.986
where: short stacking energy: -39.102
Base-Backbone interact. energy: 2.333
local terms energy: -78.006895
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -4.048
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: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -99.188253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.188253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.188253 (E_RNA)
where:
Base-Base interactions energy: -36.019
where: short stacking energy: -31.186
Base-Backbone interact. energy: -0.342
local terms energy: -62.827508
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: 0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -101.812559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.812559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.812559 (E_RNA)
where:
Base-Base interactions energy: -45.969
where: short stacking energy: -32.933
Base-Backbone interact. energy: -0.177
local terms energy: -55.666859
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: 0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -96.667695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.667695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.667695 (E_RNA)
where:
Base-Base interactions energy: -36.993
where: short stacking energy: -27.280
Base-Backbone interact. energy: -0.260
local terms energy: -59.415606
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -0.639
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -300.793929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.793929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.793929 (E_RNA)
where:
Base-Base interactions energy: -207.726
where: short stacking energy: -98.144
Base-Backbone interact. energy: -0.096
local terms energy: -92.971535
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -24.627
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: 6
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -297.318038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.318038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.318038 (E_RNA)
where:
Base-Base interactions energy: -193.469
where: short stacking energy: -97.428
Base-Backbone interact. energy: 0.089
local terms energy: -103.938418
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -20.204
flat angles P-C4'-P energy: -14.672
tors. eta vs tors. theta energy: -28.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -290.668575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.668575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.668575 (E_RNA)
where:
Base-Base interactions energy: -184.706
where: short stacking energy: -88.063
Base-Backbone interact. energy: -0.105
local terms energy: -105.858096
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -17.754
tors. eta vs tors. theta energy: -23.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -279.921688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.921688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.921688 (E_RNA)
where:
Base-Base interactions energy: -181.703
where: short stacking energy: -84.313
Base-Backbone interact. energy: -0.068
local terms energy: -98.150677
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -28.308
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: 3
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -211.634453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.634453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.634453 (E_RNA)
where:
Base-Base interactions energy: -125.415
where: short stacking energy: -68.396
Base-Backbone interact. energy: -0.389
local terms energy: -85.831038
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -22.454
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -185.132654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.132654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.132654 (E_RNA)
where:
Base-Base interactions energy: -100.945
where: short stacking energy: -58.687
Base-Backbone interact. energy: 0.004
local terms energy: -84.191435
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -12.893
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: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -120.923982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.923982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.923982 (E_RNA)
where:
Base-Base interactions energy: -51.792
where: short stacking energy: -36.321
Base-Backbone interact. energy: -1.050
local terms energy: -68.082157
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -10.409
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: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -117.446204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.446204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.446204 (E_RNA)
where:
Base-Base interactions energy: -53.109
where: short stacking energy: -37.330
Base-Backbone interact. energy: -0.202
local terms energy: -64.135128
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -2.705
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: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -109.743828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.743828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.743828 (E_RNA)
where:
Base-Base interactions energy: -46.277
where: short stacking energy: -46.277
Base-Backbone interact. energy: -0.235
local terms energy: -63.232170
where:
bonds (distance) C4'-P energy: -19.620
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -6.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -113.145748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.145748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.145748 (E_RNA)
where:
Base-Base interactions energy: -55.885
where: short stacking energy: -53.999
Base-Backbone interact. energy: 0.314
local terms energy: -57.574456
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -5.874
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -297.177592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.177592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.177592 (E_RNA)
where:
Base-Base interactions energy: -198.851
where: short stacking energy: -85.385
Base-Backbone interact. energy: -1.662
local terms energy: -96.664539
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -24.328
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: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -287.903182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.903182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.903182 (E_RNA)
where:
Base-Base interactions energy: -188.683
where: short stacking energy: -90.539
Base-Backbone interact. energy: -0.492
local terms energy: -98.728250
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -23.345
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -27.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -290.279900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.279900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.279900 (E_RNA)
where:
Base-Base interactions energy: -186.627
where: short stacking energy: -96.675
Base-Backbone interact. energy: -0.606
local terms energy: -103.047242
where:
bonds (distance) C4'-P energy: -21.829
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -26.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -252.850407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.850407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.850407 (E_RNA)
where:
Base-Base interactions energy: -153.071
where: short stacking energy: -66.000
Base-Backbone interact. energy: -1.080
local terms energy: -98.699800
where:
bonds (distance) C4'-P energy: -22.510
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -24.994
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -17.673
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: 403
Temperature: 1.100000
Total energy: -258.522117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.522117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.522117 (E_RNA)
where:
Base-Base interactions energy: -170.288
where: short stacking energy: -81.414
Base-Backbone interact. energy: -0.076
local terms energy: -88.158923
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -20.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -150.544112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.544112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.544112 (E_RNA)
where:
Base-Base interactions energy: -65.054
where: short stacking energy: -65.054
Base-Backbone interact. energy: -0.707
local terms energy: -84.783373
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -25.119
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -12.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -176.391714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.391714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.391714 (E_RNA)
where:
Base-Base interactions energy: -100.387
where: short stacking energy: -53.490
Base-Backbone interact. energy: -0.179
local terms energy: -75.825527
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -10.743
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: 8, replica: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -136.576975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.576975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.576975 (E_RNA)
where:
Base-Base interactions energy: -62.302
where: short stacking energy: -40.073
Base-Backbone interact. energy: -0.205
local terms energy: -74.070246
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -7.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -113.302815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.302815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.302815 (E_RNA)
where:
Base-Base interactions energy: -43.582
where: short stacking energy: -38.456
Base-Backbone interact. energy: -0.826
local terms energy: -68.894470
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -24.340
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -119.562455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.562455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.562455 (E_RNA)
where:
Base-Base interactions energy: -78.461
where: short stacking energy: -36.488
Base-Backbone interact. energy: -0.181
local terms energy: -40.920246
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -5.337
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: 1.552
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -292.943473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.943473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.943473 (E_RNA)
where:
Base-Base interactions energy: -192.999
where: short stacking energy: -92.920
Base-Backbone interact. energy: -0.716
local terms energy: -99.227691
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -26.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -298.203683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.203683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.203683 (E_RNA)
where:
Base-Base interactions energy: -193.959
where: short stacking energy: -89.985
Base-Backbone interact. energy: -1.258
local terms energy: -102.986154
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -22.559
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -26.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -276.826205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.826205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.826205 (E_RNA)
where:
Base-Base interactions energy: -179.977
where: short stacking energy: -84.353
Base-Backbone interact. energy: -0.666
local terms energy: -96.183006
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -25.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -258.071486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.071486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.071486 (E_RNA)
where:
Base-Base interactions energy: -160.913
where: short stacking energy: -76.333
Base-Backbone interact. energy: -0.004
local terms energy: -97.154222
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -23.516
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -24.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -259.141527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.141527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.141527 (E_RNA)
where:
Base-Base interactions energy: -168.093
where: short stacking energy: -75.104
Base-Backbone interact. energy: -0.236
local terms energy: -90.812595
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -20.868
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: 404
Temperature: 1.150000
Total energy: -125.557450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.557450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.557450 (E_RNA)
where:
Base-Base interactions energy: -55.854
where: short stacking energy: -44.637
Base-Backbone interact. energy: 0.018
local terms energy: -69.720771
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -6.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -191.799268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.799268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.799268 (E_RNA)
where:
Base-Base interactions energy: -103.351
where: short stacking energy: -63.618
Base-Backbone interact. energy: -0.876
local terms energy: -87.572227
where:
bonds (distance) C4'-P energy: -19.674
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -14.792
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: 8, replica: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -118.367046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.367046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.367046 (E_RNA)
where:
Base-Base interactions energy: -46.144
where: short stacking energy: -38.496
Base-Backbone interact. energy: 0.909
local terms energy: -73.132174
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -10.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -120.141562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.141562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.141562 (E_RNA)
where:
Base-Base interactions energy: -62.375
where: short stacking energy: -31.860
Base-Backbone interact. energy: -0.254
local terms energy: -57.513138
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -4.270
tors. eta vs tors. theta energy: 1.012
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: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -92.332637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.332637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.332637 (E_RNA)
where:
Base-Base interactions energy: -29.850
where: short stacking energy: -29.850
Base-Backbone interact. energy: -0.042
local terms energy: -62.441008
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: 1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -293.557739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.557739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.557739 (E_RNA)
where:
Base-Base interactions energy: -191.787
where: short stacking energy: -87.807
Base-Backbone interact. energy: -0.839
local terms energy: -100.931577
where:
bonds (distance) C4'-P energy: -24.058
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -23.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -297.393743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.393743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.393743 (E_RNA)
where:
Base-Base interactions energy: -195.584
where: short stacking energy: -89.374
Base-Backbone interact. energy: 1.597
local terms energy: -103.406539
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -24.467
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: 405
Temperature: 1.000000
Total energy: -301.468708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.468708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.468708 (E_RNA)
where:
Base-Base interactions energy: -197.064
where: short stacking energy: -90.860
Base-Backbone interact. energy: -0.851
local terms energy: -103.554119
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -21.970
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -25.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -251.896997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.896997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.896997 (E_RNA)
where:
Base-Base interactions energy: -166.776
where: short stacking energy: -74.595
Base-Backbone interact. energy: -0.228
local terms energy: -84.893086
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -249.979115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.979115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.979115 (E_RNA)
where:
Base-Base interactions energy: -161.609
where: short stacking energy: -70.983
Base-Backbone interact. energy: -0.922
local terms energy: -87.448747
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -23.497
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -17.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -203.208848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.208848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.208848 (E_RNA)
where:
Base-Base interactions energy: -127.276
where: short stacking energy: -49.769
Base-Backbone interact. energy: -0.295
local terms energy: -75.637878
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -4.205
tors. eta vs tors. theta energy: -11.394
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: 4
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -120.007945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.007945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.007945 (E_RNA)
where:
Base-Base interactions energy: -52.516
where: short stacking energy: -48.326
Base-Backbone interact. energy: 0.960
local terms energy: -68.451657
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -7.231
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: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -133.872056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.872056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.872056 (E_RNA)
where:
Base-Base interactions energy: -70.881
where: short stacking energy: -44.317
Base-Backbone interact. energy: -0.112
local terms energy: -62.878746
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -7.942
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -5.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -112.991387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.991387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.991387 (E_RNA)
where:
Base-Base interactions energy: -45.978
where: short stacking energy: -41.589
Base-Backbone interact. energy: -0.065
local terms energy: -66.948172
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -17.318
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -96.826866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.826866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.826866 (E_RNA)
where:
Base-Base interactions energy: -43.170
where: short stacking energy: -42.204
Base-Backbone interact. energy: -0.126
local terms energy: -53.530287
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -5.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -309.578213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.578213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.578213 (E_RNA)
where:
Base-Base interactions energy: -207.172
where: short stacking energy: -95.091
Base-Backbone interact. energy: 0.375
local terms energy: -102.780705
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -26.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -294.577562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.577562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.577562 (E_RNA)
where:
Base-Base interactions energy: -189.790
where: short stacking energy: -88.905
Base-Backbone interact. energy: -0.142
local terms energy: -104.645933
where:
bonds (distance) C4'-P energy: -21.841
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -25.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -285.760559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.760559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.760559 (E_RNA)
where:
Base-Base interactions energy: -181.538
where: short stacking energy: -82.625
Base-Backbone interact. energy: -0.561
local terms energy: -103.661148
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -22.644
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -29.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -274.891497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.891497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.891497 (E_RNA)
where:
Base-Base interactions energy: -174.491
where: short stacking energy: -75.946
Base-Backbone interact. energy: 0.303
local terms energy: -100.703584
where:
bonds (distance) C4'-P energy: -19.740
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -24.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -249.452238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.452238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.452238 (E_RNA)
where:
Base-Base interactions energy: -159.247
where: short stacking energy: -84.300
Base-Backbone interact. energy: -0.519
local terms energy: -89.686043
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -20.848
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: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -242.524322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.524322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.524322 (E_RNA)
where:
Base-Base interactions energy: -162.646
where: short stacking energy: -87.224
Base-Backbone interact. energy: -0.096
local terms energy: -79.782713
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -24.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -114.428113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.428113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.428113 (E_RNA)
where:
Base-Base interactions energy: -43.545
where: short stacking energy: -41.925
Base-Backbone interact. energy: -0.291
local terms energy: -70.591725
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -23.120
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -13.811
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: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -121.353999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.353999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.353999 (E_RNA)
where:
Base-Base interactions energy: -62.093
where: short stacking energy: -39.954
Base-Backbone interact. energy: 5.274
local terms energy: -64.535096
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -108.527880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.527880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.527880 (E_RNA)
where:
Base-Base interactions energy: -49.957
where: short stacking energy: -31.063
Base-Backbone interact. energy: -0.633
local terms energy: -57.938158
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -5.844
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: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -107.737574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.737574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.737574 (E_RNA)
where:
Base-Base interactions energy: -54.802
where: short stacking energy: -37.300
Base-Backbone interact. energy: -1.070
local terms energy: -51.865409
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -9.392
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -3.376
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -303.521682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.521682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.521682 (E_RNA)
where:
Base-Base interactions energy: -201.676
where: short stacking energy: -98.705
Base-Backbone interact. energy: -0.545
local terms energy: -101.300550
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -24.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -296.993490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.993490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.993490 (E_RNA)
where:
Base-Base interactions energy: -192.296
where: short stacking energy: -93.961
Base-Backbone interact. energy: -0.360
local terms energy: -104.337041
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -25.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -276.123542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.123542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.123542 (E_RNA)
where:
Base-Base interactions energy: -176.937
where: short stacking energy: -77.637
Base-Backbone interact. energy: -0.861
local terms energy: -98.324950
where:
bonds (distance) C4'-P energy: -20.635
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -15.185
tors. eta vs tors. theta energy: -24.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -291.932863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.932863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.932863 (E_RNA)
where:
Base-Base interactions energy: -191.945
where: short stacking energy: -89.226
Base-Backbone interact. energy: -0.135
local terms energy: -99.853024
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -26.248
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: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -234.274727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.274727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.274727 (E_RNA)
where:
Base-Base interactions energy: -154.419
where: short stacking energy: -66.037
Base-Backbone interact. energy: 0.160
local terms energy: -80.015934
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -19.338
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -16.691
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: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -207.779743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.779743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.779743 (E_RNA)
where:
Base-Base interactions energy: -127.185
where: short stacking energy: -63.869
Base-Backbone interact. energy: -1.412
local terms energy: -79.183313
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -13.107
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: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -119.654518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.654518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.654518 (E_RNA)
where:
Base-Base interactions energy: -42.809
where: short stacking energy: -39.960
Base-Backbone interact. energy: -0.364
local terms energy: -76.480873
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -21.963
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -2.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -123.221112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.221112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.221112 (E_RNA)
where:
Base-Base interactions energy: -60.328
where: short stacking energy: -44.779
Base-Backbone interact. energy: -0.219
local terms energy: -62.674059
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -7.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -122.202789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.202789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.202789 (E_RNA)
where:
Base-Base interactions energy: -58.367
where: short stacking energy: -38.481
Base-Backbone interact. energy: -0.146
local terms energy: -63.689856
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -6.417
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: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -105.984435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.984435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.984435 (E_RNA)
where:
Base-Base interactions energy: -41.425
where: short stacking energy: -39.109
Base-Backbone interact. energy: -0.089
local terms energy: -64.471001
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -6.515
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -309.219229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.219229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.219229 (E_RNA)
where:
Base-Base interactions energy: -206.441
where: short stacking energy: -99.386
Base-Backbone interact. energy: -0.639
local terms energy: -102.139325
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -23.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -302.438320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.438320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.438320 (E_RNA)
where:
Base-Base interactions energy: -206.346
where: short stacking energy: -100.676
Base-Backbone interact. energy: -0.742
local terms energy: -95.349723
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -27.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -281.412442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.412442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.412442 (E_RNA)
where:
Base-Base interactions energy: -185.376
where: short stacking energy: -88.870
Base-Backbone interact. energy: -1.263
local terms energy: -94.773301
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -28.028
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: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -292.721618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.721618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.721618 (E_RNA)
where:
Base-Base interactions energy: -200.632
where: short stacking energy: -83.197
Base-Backbone interact. energy: -0.083
local terms energy: -92.006652
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -24.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -196.764111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.764111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.764111 (E_RNA)
where:
Base-Base interactions energy: -115.281
where: short stacking energy: -78.179
Base-Backbone interact. energy: -0.020
local terms energy: -81.462970
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -5.953
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: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -200.893281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.893281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.893281 (E_RNA)
where:
Base-Base interactions energy: -130.329
where: short stacking energy: -59.373
Base-Backbone interact. energy: -0.173
local terms energy: -70.391811
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -9.729
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: 7, replica: 2
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -127.355926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.355926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.355926 (E_RNA)
where:
Base-Base interactions energy: -57.251
where: short stacking energy: -35.963
Base-Backbone interact. energy: -0.187
local terms energy: -69.918453
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -14.868
tors. eta vs tors. theta energy: -5.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -109.800699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.800699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.800699 (E_RNA)
where:
Base-Base interactions energy: -36.063
where: short stacking energy: -32.350
Base-Backbone interact. energy: -0.599
local terms energy: -73.139147
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -20.370
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: 0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -120.766578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.766578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.766578 (E_RNA)
where:
Base-Base interactions energy: -50.268
where: short stacking energy: -46.525
Base-Backbone interact. energy: 1.617
local terms energy: -72.114895
where:
bonds (distance) C4'-P energy: -19.773
bonds (distance) P-C4' energy: -22.568
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -4.593
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: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -102.464301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.464301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.464301 (E_RNA)
where:
Base-Base interactions energy: -30.218
where: short stacking energy: -29.616
Base-Backbone interact. energy: -1.004
local terms energy: -71.243073
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -20.773
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -3.540
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -304.343075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.343075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.343075 (E_RNA)
where:
Base-Base interactions energy: -205.598
where: short stacking energy: -97.453
Base-Backbone interact. energy: -0.411
local terms energy: -98.334848
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -22.321
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -25.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -306.238056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.238056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.238056 (E_RNA)
where:
Base-Base interactions energy: -201.756
where: short stacking energy: -91.316
Base-Backbone interact. energy: -0.014
local terms energy: -104.467664
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -28.265
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: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -281.084871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.084871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.084871 (E_RNA)
where:
Base-Base interactions energy: -185.223
where: short stacking energy: -88.953
Base-Backbone interact. energy: -0.778
local terms energy: -95.083806
where:
bonds (distance) C4'-P energy: -16.832
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -22.205
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: 409
Temperature: 1.050000
Total energy: -275.500079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.500079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.500079 (E_RNA)
where:
Base-Base interactions energy: -180.159
where: short stacking energy: -84.989
Base-Backbone interact. energy: 1.036
local terms energy: -96.377111
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -22.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -186.309037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.309037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.309037 (E_RNA)
where:
Base-Base interactions energy: -111.949
where: short stacking energy: -71.994
Base-Backbone interact. energy: -0.081
local terms energy: -74.279022
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -11.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -208.871731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.871731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.871731 (E_RNA)
where:
Base-Base interactions energy: -122.287
where: short stacking energy: -74.751
Base-Backbone interact. energy: -0.006
local terms energy: -86.577972
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -10.723
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: 7, replica: 2
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -124.516694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.516694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.516694 (E_RNA)
where:
Base-Base interactions energy: -57.976
where: short stacking energy: -42.679
Base-Backbone interact. energy: -0.161
local terms energy: -66.379562
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -8.223
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: 409
Temperature: 1.250000
Total energy: -111.541764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.541764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.541764 (E_RNA)
where:
Base-Base interactions energy: -39.846
where: short stacking energy: -39.846
Base-Backbone interact. energy: -0.030
local terms energy: -71.666036
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -5.578
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: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -105.408794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.408794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.408794 (E_RNA)
where:
Base-Base interactions energy: -35.097
where: short stacking energy: -35.097
Base-Backbone interact. energy: -0.158
local terms energy: -70.154577
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -98.354606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.354606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.354606 (E_RNA)
where:
Base-Base interactions energy: -39.280
where: short stacking energy: -36.459
Base-Backbone interact. energy: 0.610
local terms energy: -59.684400
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: 3.251
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -303.593472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.593472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.593472 (E_RNA)
where:
Base-Base interactions energy: -205.880
where: short stacking energy: -99.016
Base-Backbone interact. energy: -0.735
local terms energy: -96.978481
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -28.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -301.458857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.458857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.458857 (E_RNA)
where:
Base-Base interactions energy: -191.283
where: short stacking energy: -89.778
Base-Backbone interact. energy: -1.352
local terms energy: -108.823586
where:
bonds (distance) C4'-P energy: -20.500
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -26.888
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: 410
Temperature: 1.000000
Total energy: -288.116553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.116553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.116553 (E_RNA)
where:
Base-Base interactions energy: -193.849
where: short stacking energy: -93.496
Base-Backbone interact. energy: -0.361
local terms energy: -93.906601
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -19.233
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -26.189
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: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -276.294607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.294607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.294607 (E_RNA)
where:
Base-Base interactions energy: -181.877
where: short stacking energy: -82.567
Base-Backbone interact. energy: -0.512
local terms energy: -93.905408
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -216.012496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.012496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.012496 (E_RNA)
where:
Base-Base interactions energy: -120.355
where: short stacking energy: -76.024
Base-Backbone interact. energy: -0.001
local terms energy: -95.657183
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -24.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -182.869509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.869509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.869509 (E_RNA)
where:
Base-Base interactions energy: -95.739
where: short stacking energy: -58.665
Base-Backbone interact. energy: -0.862
local terms energy: -86.268157
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -115.300545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.300545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.300545 (E_RNA)
where:
Base-Base interactions energy: -40.405
where: short stacking energy: -40.405
Base-Backbone interact. energy: -0.177
local terms energy: -74.718493
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -7.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -118.960539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.960539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.960539 (E_RNA)
where:
Base-Base interactions energy: -45.800
where: short stacking energy: -45.558
Base-Backbone interact. energy: -0.183
local terms energy: -72.977272
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -124.536372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.536372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.536372 (E_RNA)
where:
Base-Base interactions energy: -47.675
where: short stacking energy: -44.311
Base-Backbone interact. energy: -0.394
local terms energy: -76.467608
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -100.250901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.250901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.250901 (E_RNA)
where:
Base-Base interactions energy: -35.806
where: short stacking energy: -30.126
Base-Backbone interact. energy: -0.237
local terms energy: -64.207657
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: 0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -298.739913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.739913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.739913 (E_RNA)
where:
Base-Base interactions energy: -203.001
where: short stacking energy: -95.195
Base-Backbone interact. energy: -1.479
local terms energy: -94.259705
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -23.107
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -24.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -299.470035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.470035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.470035 (E_RNA)
where:
Base-Base interactions energy: -202.880
where: short stacking energy: -95.993
Base-Backbone interact. energy: -1.085
local terms energy: -95.505906
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -24.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -280.388078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.388078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.388078 (E_RNA)
where:
Base-Base interactions energy: -182.985
where: short stacking energy: -96.471
Base-Backbone interact. energy: -0.126
local terms energy: -97.276373
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -21.215
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -24.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -253.779988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.779988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.779988 (E_RNA)
where:
Base-Base interactions energy: -166.891
where: short stacking energy: -81.438
Base-Backbone interact. energy: -0.222
local terms energy: -86.666177
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -23.196
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: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -204.583568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.583568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.583568 (E_RNA)
where:
Base-Base interactions energy: -118.046
where: short stacking energy: -67.841
Base-Backbone interact. energy: -0.148
local terms energy: -86.389792
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -22.939
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -180.679880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.679880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.679880 (E_RNA)
where:
Base-Base interactions energy: -102.294
where: short stacking energy: -61.292
Base-Backbone interact. energy: -0.629
local terms energy: -77.756519
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -21.441
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -4.250
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: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -132.923819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.923819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.923819 (E_RNA)
where:
Base-Base interactions energy: -56.299
where: short stacking energy: -52.349
Base-Backbone interact. energy: -0.259
local terms energy: -76.365440
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -11.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -112.782388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.782388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.782388 (E_RNA)
where:
Base-Base interactions energy: -46.984
where: short stacking energy: -27.207
Base-Backbone interact. energy: -0.291
local terms energy: -65.507705
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -5.628
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: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -121.616813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.616813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.616813 (E_RNA)
where:
Base-Base interactions energy: -55.366
where: short stacking energy: -45.635
Base-Backbone interact. energy: -0.361
local terms energy: -65.889495
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -97.051212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.051212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.051212 (E_RNA)
where:
Base-Base interactions energy: -36.404
where: short stacking energy: -23.304
Base-Backbone interact. energy: 0.938
local terms energy: -61.585492
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: 1.516
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -300.414283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.414283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.414283 (E_RNA)
where:
Base-Base interactions energy: -206.081
where: short stacking energy: -97.591
Base-Backbone interact. energy: -0.053
local terms energy: -94.279626
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -21.221
flat angles P-C4'-P energy: -17.181
tors. eta vs tors. theta energy: -23.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -295.511180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.511180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.511180 (E_RNA)
where:
Base-Base interactions energy: -193.635
where: short stacking energy: -98.040
Base-Backbone interact. energy: -0.214
local terms energy: -101.662413
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -25.641
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: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -275.283435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.283435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.283435 (E_RNA)
where:
Base-Base interactions energy: -175.580
where: short stacking energy: -79.335
Base-Backbone interact. energy: -0.288
local terms energy: -99.414594
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -24.606
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -23.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -272.849724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.849724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.849724 (E_RNA)
where:
Base-Base interactions energy: -174.549
where: short stacking energy: -83.073
Base-Backbone interact. energy: -0.730
local terms energy: -97.570720
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -26.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -210.034409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.034409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.034409 (E_RNA)
where:
Base-Base interactions energy: -122.739
where: short stacking energy: -67.651
Base-Backbone interact. energy: -0.713
local terms energy: -86.581907
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -13.527
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: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -141.540563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.540563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.540563 (E_RNA)
where:
Base-Base interactions energy: -70.679
where: short stacking energy: -30.116
Base-Backbone interact. energy: -0.353
local terms energy: -70.507971
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -139.260357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.260357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.260357 (E_RNA)
where:
Base-Base interactions energy: -78.313
where: short stacking energy: -60.490
Base-Backbone interact. energy: -0.186
local terms energy: -60.761191
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -117.365119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.365119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.365119 (E_RNA)
where:
Base-Base interactions energy: -47.615
where: short stacking energy: -46.082
Base-Backbone interact. energy: 0.068
local terms energy: -69.817340
where:
bonds (distance) C4'-P energy: -18.320
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -9.526
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: 9, replica: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -129.415322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.415322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.415322 (E_RNA)
where:
Base-Base interactions energy: -71.561
where: short stacking energy: -36.810
Base-Backbone interact. energy: -0.326
local terms energy: -57.528356
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -3.838
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: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -104.006936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.006936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.006936 (E_RNA)
where:
Base-Base interactions energy: -33.335
where: short stacking energy: -24.998
Base-Backbone interact. energy: -0.075
local terms energy: -70.596908
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -3.668
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -297.678787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.678787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.678787 (E_RNA)
where:
Base-Base interactions energy: -193.204
where: short stacking energy: -90.458
Base-Backbone interact. energy: -0.477
local terms energy: -103.998608
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: -23.007
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: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -285.811895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.811895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.811895 (E_RNA)
where:
Base-Base interactions energy: -194.592
where: short stacking energy: -92.177
Base-Backbone interact. energy: -0.311
local terms energy: -90.908285
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -21.040
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -22.015
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: 6
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -299.511373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.511373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.511373 (E_RNA)
where:
Base-Base interactions energy: -201.068
where: short stacking energy: -90.073
Base-Backbone interact. energy: -0.492
local terms energy: -97.951981
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -26.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -277.078978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.078978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.078978 (E_RNA)
where:
Base-Base interactions energy: -183.864
where: short stacking energy: -91.797
Base-Backbone interact. energy: -1.315
local terms energy: -91.899490
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -25.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -206.663015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.663015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.663015 (E_RNA)
where:
Base-Base interactions energy: -120.322
where: short stacking energy: -66.170
Base-Backbone interact. energy: -0.445
local terms energy: -85.895380
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -17.315
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: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -128.769711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.769711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.769711 (E_RNA)
where:
Base-Base interactions energy: -53.165
where: short stacking energy: -40.632
Base-Backbone interact. energy: 0.327
local terms energy: -75.931143
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -21.052
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -7.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -114.869054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.869054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.869054 (E_RNA)
where:
Base-Base interactions energy: -48.944
where: short stacking energy: -40.520
Base-Backbone interact. energy: -0.129
local terms energy: -65.795938
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -8.190
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: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -154.142294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.142294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.142294 (E_RNA)
where:
Base-Base interactions energy: -86.238
where: short stacking energy: -35.170
Base-Backbone interact. energy: -1.391
local terms energy: -66.513553
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -6.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -96.788242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.788242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.788242 (E_RNA)
where:
Base-Base interactions energy: -27.914
where: short stacking energy: -23.652
Base-Backbone interact. energy: -0.161
local terms energy: -68.713342
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -96.839944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.839944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.839944 (E_RNA)
where:
Base-Base interactions energy: -32.936
where: short stacking energy: -28.876
Base-Backbone interact. energy: 0.136
local terms energy: -64.039657
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -13.411
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -307.559108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.559108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.559108 (E_RNA)
where:
Base-Base interactions energy: -200.816
where: short stacking energy: -95.952
Base-Backbone interact. energy: -2.272
local terms energy: -104.470714
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -29.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -291.214139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.214139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.214139 (E_RNA)
where:
Base-Base interactions energy: -194.636
where: short stacking energy: -92.487
Base-Backbone interact. energy: 0.923
local terms energy: -97.500706
where:
bonds (distance) C4'-P energy: -23.348
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -21.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -291.974728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.974728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.974728 (E_RNA)
where:
Base-Base interactions energy: -191.436
where: short stacking energy: -94.318
Base-Backbone interact. energy: 0.407
local terms energy: -100.945616
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -14.624
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: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -269.144202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.144202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.144202 (E_RNA)
where:
Base-Base interactions energy: -172.143
where: short stacking energy: -86.112
Base-Backbone interact. energy: -0.294
local terms energy: -96.706969
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -17.000
tors. eta vs tors. theta energy: -21.406
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: 5, replica: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -190.145763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.145763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.145763 (E_RNA)
where:
Base-Base interactions energy: -111.922
where: short stacking energy: -60.228
Base-Backbone interact. energy: -0.073
local terms energy: -78.151120
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -21.549
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -132.132051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.132051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.132051 (E_RNA)
where:
Base-Base interactions energy: -63.897
where: short stacking energy: -56.209
Base-Backbone interact. energy: -0.492
local terms energy: -67.743365
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -10.467
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: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -153.089366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.089366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.089366 (E_RNA)
where:
Base-Base interactions energy: -87.996
where: short stacking energy: -48.497
Base-Backbone interact. energy: -0.291
local terms energy: -64.802256
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -7.927
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: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -120.231351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.231351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.231351 (E_RNA)
where:
Base-Base interactions energy: -57.001
where: short stacking energy: -49.021
Base-Backbone interact. energy: -0.244
local terms energy: -62.985819
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -112.850391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.850391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.850391 (E_RNA)
where:
Base-Base interactions energy: -45.922
where: short stacking energy: -28.513
Base-Backbone interact. energy: -0.352
local terms energy: -66.575960
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -12.325
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: 10, replica: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -101.605853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.605853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.605853 (E_RNA)
where:
Base-Base interactions energy: -46.117
where: short stacking energy: -30.854
Base-Backbone interact. energy: 0.024
local terms energy: -55.513167
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: 2.561
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -297.835076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.835076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.835076 (E_RNA)
where:
Base-Base interactions energy: -196.903
where: short stacking energy: -86.694
Base-Backbone interact. energy: -1.194
local terms energy: -99.737932
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -22.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -289.788227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.788227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.788227 (E_RNA)
where:
Base-Base interactions energy: -190.994
where: short stacking energy: -93.220
Base-Backbone interact. energy: -0.309
local terms energy: -98.484984
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -21.137
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -23.910
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: 415
Temperature: 1.000000
Total energy: -287.898013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.898013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.898013 (E_RNA)
where:
Base-Base interactions energy: -195.863
where: short stacking energy: -90.353
Base-Backbone interact. energy: -0.764
local terms energy: -91.270902
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -21.801
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -21.789
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: 415
Temperature: 1.050000
Total energy: -255.716378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.716378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.716378 (E_RNA)
where:
Base-Base interactions energy: -166.448
where: short stacking energy: -88.608
Base-Backbone interact. energy: -0.052
local terms energy: -89.216212
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -22.247
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -23.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -192.658061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.658061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.658061 (E_RNA)
where:
Base-Base interactions energy: -108.530
where: short stacking energy: -67.072
Base-Backbone interact. energy: -0.046
local terms energy: -84.082459
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -16.535
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: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -153.306187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.306187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.306187 (E_RNA)
where:
Base-Base interactions energy: -81.009
where: short stacking energy: -47.891
Base-Backbone interact. energy: 2.108
local terms energy: -74.404794
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -115.998160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.998160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.998160 (E_RNA)
where:
Base-Base interactions energy: -51.423
where: short stacking energy: -47.273
Base-Backbone interact. energy: -0.246
local terms energy: -64.329077
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -110.751950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.751950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.751950 (E_RNA)
where:
Base-Base interactions energy: -46.086
where: short stacking energy: -37.765
Base-Backbone interact. energy: -0.209
local terms energy: -64.456493
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -104.371888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.371888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.371888 (E_RNA)
where:
Base-Base interactions energy: -31.753
where: short stacking energy: -23.239
Base-Backbone interact. energy: -0.105
local terms energy: -72.514033
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -94.686188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.686188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.686188 (E_RNA)
where:
Base-Base interactions energy: -37.933
where: short stacking energy: -29.887
Base-Backbone interact. energy: 1.301
local terms energy: -58.054204
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -0.326
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -301.991388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.991388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.991388 (E_RNA)
where:
Base-Base interactions energy: -201.092
where: short stacking energy: -86.396
Base-Backbone interact. energy: -1.063
local terms energy: -99.836845
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -28.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -265.595356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.595356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.595356 (E_RNA)
where:
Base-Base interactions energy: -165.856
where: short stacking energy: -80.542
Base-Backbone interact. energy: -0.045
local terms energy: -99.694306
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -25.042
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: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -274.307365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.307365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.307365 (E_RNA)
where:
Base-Base interactions energy: -180.961
where: short stacking energy: -80.286
Base-Backbone interact. energy: -1.273
local terms energy: -92.073323
where:
bonds (distance) C4'-P energy: -21.213
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -20.104
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: 416
Temperature: 1.050000
Total energy: -258.390200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.390200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.390200 (E_RNA)
where:
Base-Base interactions energy: -165.163
where: short stacking energy: -70.495
Base-Backbone interact. energy: -0.700
local terms energy: -92.527153
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -20.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -183.911799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.911799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.911799 (E_RNA)
where:
Base-Base interactions energy: -95.357
where: short stacking energy: -47.917
Base-Backbone interact. energy: -0.267
local terms energy: -88.287791
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -21.345
flat angles C4'-P-C4' energy: -23.364
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -179.089643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.089643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.089643 (E_RNA)
where:
Base-Base interactions energy: -100.206
where: short stacking energy: -63.594
Base-Backbone interact. energy: -0.191
local terms energy: -78.692390
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -130.034728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.034728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.034728 (E_RNA)
where:
Base-Base interactions energy: -59.423
where: short stacking energy: -49.231
Base-Backbone interact. energy: -0.605
local terms energy: -70.005926
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -19.697
flat angles C4'-P-C4' energy: -8.514
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -10.286
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: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -106.058934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.058934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.058934 (E_RNA)
where:
Base-Base interactions energy: -37.568
where: short stacking energy: -34.825
Base-Backbone interact. energy: -0.412
local terms energy: -68.079597
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -5.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -113.435393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.435393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.435393 (E_RNA)
where:
Base-Base interactions energy: -38.692
where: short stacking energy: -38.192
Base-Backbone interact. energy: 0.058
local terms energy: -74.800799
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -122.530215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.530215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.530215 (E_RNA)
where:
Base-Base interactions energy: -43.368
where: short stacking energy: -43.338
Base-Backbone interact. energy: -0.110
local terms energy: -79.051822
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -9.585
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -303.764992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.764992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.764992 (E_RNA)
where:
Base-Base interactions energy: -204.915
where: short stacking energy: -78.675
Base-Backbone interact. energy: -0.998
local terms energy: -97.852620
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -23.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -286.741708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.741708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.741708 (E_RNA)
where:
Base-Base interactions energy: -202.258
where: short stacking energy: -93.000
Base-Backbone interact. energy: 0.469
local terms energy: -84.953166
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -21.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -260.991715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.991715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.991715 (E_RNA)
where:
Base-Base interactions energy: -167.823
where: short stacking energy: -82.412
Base-Backbone interact. energy: -0.010
local terms energy: -93.159628
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -265.776924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.776924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.776924 (E_RNA)
where:
Base-Base interactions energy: -177.655
where: short stacking energy: -84.477
Base-Backbone interact. energy: -0.417
local terms energy: -87.704751
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -19.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -188.781769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.781769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.781769 (E_RNA)
where:
Base-Base interactions energy: -117.736
where: short stacking energy: -53.395
Base-Backbone interact. energy: -0.755
local terms energy: -70.291391
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -2.321
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: 6, replica: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -173.287348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.287348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.287348 (E_RNA)
where:
Base-Base interactions energy: -99.664
where: short stacking energy: -53.706
Base-Backbone interact. energy: -1.244
local terms energy: -72.379062
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -9.392
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: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -131.015162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.015162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.015162 (E_RNA)
where:
Base-Base interactions energy: -68.157
where: short stacking energy: -50.840
Base-Backbone interact. energy: -0.958
local terms energy: -61.899906
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -4.474
tors. eta vs tors. theta energy: -4.760
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: 8, replica: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -104.632859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.632859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.632859 (E_RNA)
where:
Base-Base interactions energy: -42.624
where: short stacking energy: -29.497
Base-Backbone interact. energy: -0.387
local terms energy: -61.621285
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -22.130
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: 5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -124.558836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.558836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.558836 (E_RNA)
where:
Base-Base interactions energy: -48.890
where: short stacking energy: -46.545
Base-Backbone interact. energy: -0.116
local terms energy: -75.552852
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -20.828
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -11.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -98.724342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.724342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.724342 (E_RNA)
where:
Base-Base interactions energy: -49.215
where: short stacking energy: -40.790
Base-Backbone interact. energy: -0.422
local terms energy: -49.087652
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: 1.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -306.489712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.489712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.489712 (E_RNA)
where:
Base-Base interactions energy: -200.649
where: short stacking energy: -80.136
Base-Backbone interact. energy: -0.553
local terms energy: -105.288085
where:
bonds (distance) C4'-P energy: -23.623
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -21.851
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -289.241749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.241749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.241749 (E_RNA)
where:
Base-Base interactions energy: -196.201
where: short stacking energy: -84.120
Base-Backbone interact. energy: 0.419
local terms energy: -93.459244
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -272.801513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.801513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.801513 (E_RNA)
where:
Base-Base interactions energy: -173.638
where: short stacking energy: -78.058
Base-Backbone interact. energy: -0.097
local terms energy: -99.066865
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -256.502236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.502236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.502236 (E_RNA)
where:
Base-Base interactions energy: -168.426
where: short stacking energy: -78.468
Base-Backbone interact. energy: -0.399
local terms energy: -87.677144
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -19.580
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: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -179.137228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.137228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.137228 (E_RNA)
where:
Base-Base interactions energy: -95.041
where: short stacking energy: -51.754
Base-Backbone interact. energy: -0.288
local terms energy: -83.807985
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -8.848
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: 418
Temperature: 1.150000
Total energy: -180.957427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.957427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.957427 (E_RNA)
where:
Base-Base interactions energy: -98.898
where: short stacking energy: -55.269
Base-Backbone interact. energy: -0.886
local terms energy: -81.173272
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -13.286
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: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -127.818539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.818539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.818539 (E_RNA)
where:
Base-Base interactions energy: -53.351
where: short stacking energy: -37.034
Base-Backbone interact. energy: -0.434
local terms energy: -74.033956
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -111.370552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.370552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.370552 (E_RNA)
where:
Base-Base interactions energy: -50.204
where: short stacking energy: -49.103
Base-Backbone interact. energy: 1.254
local terms energy: -62.420178
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -7.997
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: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -105.603024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.603024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.603024 (E_RNA)
where:
Base-Base interactions energy: -45.055
where: short stacking energy: -32.670
Base-Backbone interact. energy: -0.048
local terms energy: -60.499767
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -3.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -111.603077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.603077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.603077 (E_RNA)
where:
Base-Base interactions energy: -41.442
where: short stacking energy: -41.442
Base-Backbone interact. energy: -0.195
local terms energy: -69.966458
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -5.299
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -310.553391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.553391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.553391 (E_RNA)
where:
Base-Base interactions energy: -208.578
where: short stacking energy: -99.517
Base-Backbone interact. energy: 1.549
local terms energy: -103.523517
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -27.174
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: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -279.310017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.310017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.310017 (E_RNA)
where:
Base-Base interactions energy: -184.350
where: short stacking energy: -73.804
Base-Backbone interact. energy: -1.762
local terms energy: -93.198260
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -283.618812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.618812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.618812 (E_RNA)
where:
Base-Base interactions energy: -185.172
where: short stacking energy: -79.385
Base-Backbone interact. energy: 0.854
local terms energy: -99.300892
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -20.835
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -23.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -287.317994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.317994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.317994 (E_RNA)
where:
Base-Base interactions energy: -185.004
where: short stacking energy: -81.069
Base-Backbone interact. energy: -0.645
local terms energy: -101.669728
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -24.241
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: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -205.104281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.104281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.104281 (E_RNA)
where:
Base-Base interactions energy: -116.344
where: short stacking energy: -68.047
Base-Backbone interact. energy: 0.525
local terms energy: -89.285337
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -181.620901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.620901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.620901 (E_RNA)
where:
Base-Base interactions energy: -110.810
where: short stacking energy: -59.576
Base-Backbone interact. energy: -0.058
local terms energy: -70.752564
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -12.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -127.471501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.471501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.471501 (E_RNA)
where:
Base-Base interactions energy: -57.136
where: short stacking energy: -53.695
Base-Backbone interact. energy: -0.288
local terms energy: -70.047661
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -9.839
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: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -112.696697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.696697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.696697 (E_RNA)
where:
Base-Base interactions energy: -53.192
where: short stacking energy: -39.391
Base-Backbone interact. energy: -0.683
local terms energy: -58.822618
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -111.487274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.487274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.487274 (E_RNA)
where:
Base-Base interactions energy: -36.213
where: short stacking energy: -38.913
Base-Backbone interact. energy: -0.245
local terms energy: -75.029059
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -4.856
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: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -94.513733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.513733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.513733 (E_RNA)
where:
Base-Base interactions energy: -27.825
where: short stacking energy: -27.163
Base-Backbone interact. energy: -1.122
local terms energy: -65.566576
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -4.250
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -302.972838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.972838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.972838 (E_RNA)
where:
Base-Base interactions energy: -199.781
where: short stacking energy: -88.454
Base-Backbone interact. energy: -0.471
local terms energy: -102.720194
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -26.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -284.106943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.106943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.106943 (E_RNA)
where:
Base-Base interactions energy: -191.051
where: short stacking energy: -89.744
Base-Backbone interact. energy: -0.002
local terms energy: -93.053018
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -20.583
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -21.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -261.655120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.655120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.655120 (E_RNA)
where:
Base-Base interactions energy: -171.565
where: short stacking energy: -74.359
Base-Backbone interact. energy: -0.471
local terms energy: -89.618339
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -21.751
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -266.843319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.843319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.843319 (E_RNA)
where:
Base-Base interactions energy: -170.904
where: short stacking energy: -78.312
Base-Backbone interact. energy: -0.123
local terms energy: -95.815974
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -215.420464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.420464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.420464 (E_RNA)
where:
Base-Base interactions energy: -133.500
where: short stacking energy: -77.985
Base-Backbone interact. energy: -0.202
local terms energy: -81.717985
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -166.551998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.551998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.551998 (E_RNA)
where:
Base-Base interactions energy: -100.520
where: short stacking energy: -40.449
Base-Backbone interact. energy: -1.709
local terms energy: -64.322365
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -115.868910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.868910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.868910 (E_RNA)
where:
Base-Base interactions energy: -53.134
where: short stacking energy: -41.387
Base-Backbone interact. energy: -1.325
local terms energy: -61.409435
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: 0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -109.185672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.185672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.185672 (E_RNA)
where:
Base-Base interactions energy: -35.167
where: short stacking energy: -35.267
Base-Backbone interact. energy: -0.008
local terms energy: -74.011615
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -6.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -100.237903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.237903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.237903 (E_RNA)
where:
Base-Base interactions energy: -30.201
where: short stacking energy: -28.712
Base-Backbone interact. energy: 0.834
local terms energy: -70.870751
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -104.144176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.144176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.144176 (E_RNA)
where:
Base-Base interactions energy: -38.330
where: short stacking energy: -31.264
Base-Backbone interact. energy: 0.417
local terms energy: -66.231426
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: 0.987
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -309.107767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.107767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.107767 (E_RNA)
where:
Base-Base interactions energy: -213.235
where: short stacking energy: -96.162
Base-Backbone interact. energy: -0.087
local terms energy: -95.786589
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -25.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -283.552411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.552411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.552411 (E_RNA)
where:
Base-Base interactions energy: -182.244
where: short stacking energy: -90.675
Base-Backbone interact. energy: -0.107
local terms energy: -101.201767
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -26.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -262.608546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.608546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.608546 (E_RNA)
where:
Base-Base interactions energy: -164.884
where: short stacking energy: -82.749
Base-Backbone interact. energy: -0.223
local terms energy: -97.501166
where:
bonds (distance) C4'-P energy: -20.704
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -20.748
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: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -225.407263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.407263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.407263 (E_RNA)
where:
Base-Base interactions energy: -133.504
where: short stacking energy: -85.097
Base-Backbone interact. energy: -0.297
local terms energy: -91.605637
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -21.614
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -18.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -272.458760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.458760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.458760 (E_RNA)
where:
Base-Base interactions energy: -181.920
where: short stacking energy: -83.506
Base-Backbone interact. energy: -0.106
local terms energy: -90.432926
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -20.552
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: 2
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -137.346115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.346115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.346115 (E_RNA)
where:
Base-Base interactions energy: -59.600
where: short stacking energy: -39.824
Base-Backbone interact. energy: -1.237
local terms energy: -76.508927
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -18.459
tors. eta vs tors. theta energy: -8.590
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: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -165.742674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.742674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.742674 (E_RNA)
where:
Base-Base interactions energy: -92.365
where: short stacking energy: -55.635
Base-Backbone interact. energy: -0.812
local terms energy: -72.565197
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -13.150
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: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -112.115686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.115686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.115686 (E_RNA)
where:
Base-Base interactions energy: -33.597
where: short stacking energy: -34.099
Base-Backbone interact. energy: -0.701
local terms energy: -77.817533
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -101.839392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.839392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.839392 (E_RNA)
where:
Base-Base interactions energy: -49.325
where: short stacking energy: -41.701
Base-Backbone interact. energy: -0.680
local terms energy: -51.834582
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -2.512
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: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -110.311058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.311058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.311058 (E_RNA)
where:
Base-Base interactions energy: -52.264
where: short stacking energy: -27.974
Base-Backbone interact. energy: -0.706
local terms energy: -57.341269
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: 4.819
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -288.695399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.695399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.695399 (E_RNA)
where:
Base-Base interactions energy: -190.466
where: short stacking energy: -86.497
Base-Backbone interact. energy: 0.560
local terms energy: -98.789527
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -20.079
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: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -305.537642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.537642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.537642 (E_RNA)
where:
Base-Base interactions energy: -201.020
where: short stacking energy: -88.872
Base-Backbone interact. energy: -0.287
local terms energy: -104.231046
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -20.591
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -27.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -268.475375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.475375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.475375 (E_RNA)
where:
Base-Base interactions energy: -177.060
where: short stacking energy: -82.732
Base-Backbone interact. energy: -0.067
local terms energy: -91.348989
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -222.185942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.185942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.185942 (E_RNA)
where:
Base-Base interactions energy: -132.923
where: short stacking energy: -68.099
Base-Backbone interact. energy: -0.724
local terms energy: -88.538136
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -255.590629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.590629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.590629 (E_RNA)
where:
Base-Base interactions energy: -167.144
where: short stacking energy: -75.021
Base-Backbone interact. energy: -0.040
local terms energy: -88.406967
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -139.080070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.080070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.080070 (E_RNA)
where:
Base-Base interactions energy: -64.417
where: short stacking energy: -52.163
Base-Backbone interact. energy: -0.041
local terms energy: -74.622097
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -23.579
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -125.555360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.555360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.555360 (E_RNA)
where:
Base-Base interactions energy: -57.829
where: short stacking energy: -39.676
Base-Backbone interact. energy: -0.257
local terms energy: -67.469462
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -3.404
tors. eta vs tors. theta energy: -14.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -124.230230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.230230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.230230 (E_RNA)
where:
Base-Base interactions energy: -61.937
where: short stacking energy: -38.109
Base-Backbone interact. energy: -0.332
local terms energy: -61.961485
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -9.163
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -110.799130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.799130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.799130 (E_RNA)
where:
Base-Base interactions energy: -51.642
where: short stacking energy: -51.633
Base-Backbone interact. energy: 0.300
local terms energy: -59.456700
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: 1.565
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -115.228288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.228288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.228288 (E_RNA)
where:
Base-Base interactions energy: -56.861
where: short stacking energy: -42.591
Base-Backbone interact. energy: 0.158
local terms energy: -58.525402
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -7.570
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -296.826653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.826653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.826653 (E_RNA)
where:
Base-Base interactions energy: -201.972
where: short stacking energy: -87.828
Base-Backbone interact. energy: -0.107
local terms energy: -94.747528
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -19.925
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -19.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -299.775572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.775572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.775572 (E_RNA)
where:
Base-Base interactions energy: -199.707
where: short stacking energy: -90.233
Base-Backbone interact. energy: -0.029
local terms energy: -100.039244
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -24.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -270.560092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.560092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.560092 (E_RNA)
where:
Base-Base interactions energy: -175.805
where: short stacking energy: -88.638
Base-Backbone interact. energy: -0.216
local terms energy: -94.539392
where:
bonds (distance) C4'-P energy: -20.584
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -21.101
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -20.639
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: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -243.800745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.800745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.800745 (E_RNA)
where:
Base-Base interactions energy: -159.799
where: short stacking energy: -75.548
Base-Backbone interact. energy: -0.717
local terms energy: -83.285024
where:
bonds (distance) C4'-P energy: -22.502
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -12.625
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: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -203.612778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.612778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.612778 (E_RNA)
where:
Base-Base interactions energy: -109.463
where: short stacking energy: -67.370
Base-Backbone interact. energy: -0.023
local terms energy: -94.126698
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -127.572290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.572290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.572290 (E_RNA)
where:
Base-Base interactions energy: -64.084
where: short stacking energy: -54.591
Base-Backbone interact. energy: 0.733
local terms energy: -64.221082
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -10.360
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -9.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -130.380780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.380780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.380780 (E_RNA)
where:
Base-Base interactions energy: -48.066
where: short stacking energy: -34.093
Base-Backbone interact. energy: -0.806
local terms energy: -81.509240
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -110.568617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.568617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.568617 (E_RNA)
where:
Base-Base interactions energy: -40.419
where: short stacking energy: -39.933
Base-Backbone interact. energy: 0.240
local terms energy: -70.389728
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -115.626075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.626075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.626075 (E_RNA)
where:
Base-Base interactions energy: -47.185
where: short stacking energy: -34.168
Base-Backbone interact. energy: -0.729
local terms energy: -67.712108
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -13.169
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: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -104.838742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.838742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.838742 (E_RNA)
where:
Base-Base interactions energy: -51.895
where: short stacking energy: -33.217
Base-Backbone interact. energy: 0.548
local terms energy: -53.492456
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -21.395
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: 4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -300.140909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.140909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.140909 (E_RNA)
where:
Base-Base interactions energy: -201.957
where: short stacking energy: -92.580
Base-Backbone interact. energy: -0.366
local terms energy: -97.817989
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -23.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -280.499348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.499348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.499348 (E_RNA)
where:
Base-Base interactions energy: -184.970
where: short stacking energy: -74.903
Base-Backbone interact. energy: -0.173
local terms energy: -95.356893
where:
bonds (distance) C4'-P energy: -21.789
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: -20.189
flat angles P-C4'-P energy: -13.748
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: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -267.249874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.249874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.249874 (E_RNA)
where:
Base-Base interactions energy: -183.187
where: short stacking energy: -90.701
Base-Backbone interact. energy: -0.768
local terms energy: -83.295417
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -20.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -239.868600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.868600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.868600 (E_RNA)
where:
Base-Base interactions energy: -148.790
where: short stacking energy: -80.308
Base-Backbone interact. energy: -0.898
local terms energy: -90.180581
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -23.132
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -195.090119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.090119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.090119 (E_RNA)
where:
Base-Base interactions energy: -115.226
where: short stacking energy: -57.728
Base-Backbone interact. energy: -0.226
local terms energy: -79.638254
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -126.359009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.359009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.359009 (E_RNA)
where:
Base-Base interactions energy: -50.245
where: short stacking energy: -48.911
Base-Backbone interact. energy: -0.064
local terms energy: -76.050082
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -13.251
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: 424
Temperature: 1.200000
Total energy: -125.616558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.616558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.616558 (E_RNA)
where:
Base-Base interactions energy: -53.594
where: short stacking energy: -50.309
Base-Backbone interact. energy: 0.217
local terms energy: -72.239483
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -108.997257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.997257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.997257 (E_RNA)
where:
Base-Base interactions energy: -39.397
where: short stacking energy: -38.511
Base-Backbone interact. energy: -0.163
local terms energy: -69.437064
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -21.016
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -2.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -115.145337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.145337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.145337 (E_RNA)
where:
Base-Base interactions energy: -46.739
where: short stacking energy: -42.384
Base-Backbone interact. energy: -0.216
local terms energy: -68.190144
where:
bonds (distance) C4'-P energy: -21.392
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -117.596579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.596579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.596579 (E_RNA)
where:
Base-Base interactions energy: -48.218
where: short stacking energy: -42.252
Base-Backbone interact. energy: -0.076
local terms energy: -69.302403
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -7.678
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -312.309313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.309313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.309313 (E_RNA)
where:
Base-Base interactions energy: -210.629
where: short stacking energy: -87.948
Base-Backbone interact. energy: -1.227
local terms energy: -100.453461
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -17.201
flat angles C4'-P-C4' energy: -23.574
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: -24.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -290.922867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.922867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.922867 (E_RNA)
where:
Base-Base interactions energy: -188.790
where: short stacking energy: -84.844
Base-Backbone interact. energy: -0.241
local terms energy: -101.892020
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -25.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -278.019314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.019314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.019314 (E_RNA)
where:
Base-Base interactions energy: -177.974
where: short stacking energy: -85.943
Base-Backbone interact. energy: 0.218
local terms energy: -100.263551
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -22.944
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -12.981
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: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -257.414264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.414264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.414264 (E_RNA)
where:
Base-Base interactions energy: -175.619
where: short stacking energy: -72.788
Base-Backbone interact. energy: -0.500
local terms energy: -81.295537
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -15.780
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: 1
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -204.720680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.720680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.720680 (E_RNA)
where:
Base-Base interactions energy: -118.346
where: short stacking energy: -67.998
Base-Backbone interact. energy: -0.082
local terms energy: -86.291728
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -14.550
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: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -138.776824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.776824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.776824 (E_RNA)
where:
Base-Base interactions energy: -61.842
where: short stacking energy: -61.842
Base-Backbone interact. energy: -0.084
local terms energy: -76.851086
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -11.188
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: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -120.622344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.622344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.622344 (E_RNA)
where:
Base-Base interactions energy: -55.203
where: short stacking energy: -41.322
Base-Backbone interact. energy: 0.526
local terms energy: -65.945303
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -5.816
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: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -110.099746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.099746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.099746 (E_RNA)
where:
Base-Base interactions energy: -36.518
where: short stacking energy: -32.581
Base-Backbone interact. energy: -0.335
local terms energy: -73.246214
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -19.895
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -108.303698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.303698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.303698 (E_RNA)
where:
Base-Base interactions energy: -44.918
where: short stacking energy: -30.353
Base-Backbone interact. energy: -0.386
local terms energy: -63.000016
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -4.747
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: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -119.972431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.972431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.972431 (E_RNA)
where:
Base-Base interactions energy: -50.582
where: short stacking energy: -22.172
Base-Backbone interact. energy: -0.397
local terms energy: -68.993782
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -13.696
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -301.475526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.475526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.475526 (E_RNA)
where:
Base-Base interactions energy: -195.448
where: short stacking energy: -88.770
Base-Backbone interact. energy: -2.280
local terms energy: -103.747277
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -24.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -280.186461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.186461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.186461 (E_RNA)
where:
Base-Base interactions energy: -179.057
where: short stacking energy: -80.947
Base-Backbone interact. energy: -1.453
local terms energy: -99.676130
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -267.133074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.133074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.133074 (E_RNA)
where:
Base-Base interactions energy: -180.856
where: short stacking energy: -85.946
Base-Backbone interact. energy: 0.881
local terms energy: -87.157810
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -20.556
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: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -286.557180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.557180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.557180 (E_RNA)
where:
Base-Base interactions energy: -185.222
where: short stacking energy: -95.039
Base-Backbone interact. energy: -0.033
local terms energy: -101.302267
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -20.228
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -23.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -173.718578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.718578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.718578 (E_RNA)
where:
Base-Base interactions energy: -102.436
where: short stacking energy: -48.625
Base-Backbone interact. energy: -0.546
local terms energy: -70.737145
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -6.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -132.870767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.870767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.870767 (E_RNA)
where:
Base-Base interactions energy: -63.965
where: short stacking energy: -48.694
Base-Backbone interact. energy: -0.391
local terms energy: -68.514315
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -1.155
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: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -131.872272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.872272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.872272 (E_RNA)
where:
Base-Base interactions energy: -66.509
where: short stacking energy: -54.969
Base-Backbone interact. energy: -0.273
local terms energy: -65.089878
where:
bonds (distance) C4'-P energy: -9.144
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -107.337017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.337017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.337017 (E_RNA)
where:
Base-Base interactions energy: -52.643
where: short stacking energy: -43.492
Base-Backbone interact. energy: -0.421
local terms energy: -54.273187
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: 1.258
tors. eta vs tors. theta energy: -0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -112.669895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.669895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.669895 (E_RNA)
where:
Base-Base interactions energy: -35.557
where: short stacking energy: -35.557
Base-Backbone interact. energy: -0.080
local terms energy: -77.032435
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -107.473577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.473577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.473577 (E_RNA)
where:
Base-Base interactions energy: -39.026
where: short stacking energy: -36.022
Base-Backbone interact. energy: -0.173
local terms energy: -68.274920
where:
bonds (distance) C4'-P energy: -20.870
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -297.152658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.152658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.152658 (E_RNA)
where:
Base-Base interactions energy: -201.960
where: short stacking energy: -80.853
Base-Backbone interact. energy: -0.386
local terms energy: -94.806636
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -22.133
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -21.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -280.109785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.109785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.109785 (E_RNA)
where:
Base-Base interactions energy: -185.291
where: short stacking energy: -87.944
Base-Backbone interact. energy: -1.185
local terms energy: -93.634305
where:
bonds (distance) C4'-P energy: -20.163
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -17.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -273.247564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.247564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.247564 (E_RNA)
where:
Base-Base interactions energy: -183.820
where: short stacking energy: -81.437
Base-Backbone interact. energy: 0.328
local terms energy: -89.755634
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -18.521
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -20.809
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: 6
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -272.683889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.683889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.683889 (E_RNA)
where:
Base-Base interactions energy: -180.524
where: short stacking energy: -91.616
Base-Backbone interact. energy: -0.003
local terms energy: -92.156630
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -23.048
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: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -174.478218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.478218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.478218 (E_RNA)
where:
Base-Base interactions energy: -93.928
where: short stacking energy: -57.274
Base-Backbone interact. energy: -0.107
local terms energy: -80.443242
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -12.709
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: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -133.776487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.776487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.776487 (E_RNA)
where:
Base-Base interactions energy: -61.414
where: short stacking energy: -55.088
Base-Backbone interact. energy: -0.288
local terms energy: -72.074332
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -8.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -114.124750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.124750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.124750 (E_RNA)
where:
Base-Base interactions energy: -51.732
where: short stacking energy: -38.081
Base-Backbone interact. energy: -0.266
local terms energy: -62.127130
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -6.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -104.849095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.849095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.849095 (E_RNA)
where:
Base-Base interactions energy: -34.415
where: short stacking energy: -29.607
Base-Backbone interact. energy: -1.314
local terms energy: -69.120084
where:
bonds (distance) C4'-P energy: -17.633
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -106.415372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.415372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.415372 (E_RNA)
where:
Base-Base interactions energy: -44.893
where: short stacking energy: -38.442
Base-Backbone interact. energy: -1.278
local terms energy: -60.244447
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -9.136
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: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -98.884555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.884555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.884555 (E_RNA)
where:
Base-Base interactions energy: -44.291
where: short stacking energy: -44.291
Base-Backbone interact. energy: -0.182
local terms energy: -54.411577
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -6.020
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -5.471
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -296.573044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.573044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.573044 (E_RNA)
where:
Base-Base interactions energy: -195.767
where: short stacking energy: -89.350
Base-Backbone interact. energy: -0.044
local terms energy: -100.762231
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -27.287
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: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -290.491006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.491006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.491006 (E_RNA)
where:
Base-Base interactions energy: -194.139
where: short stacking energy: -77.311
Base-Backbone interact. energy: 0.180
local terms energy: -96.532459
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -24.337
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -281.863642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.863642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.863642 (E_RNA)
where:
Base-Base interactions energy: -181.240
where: short stacking energy: -89.313
Base-Backbone interact. energy: 1.162
local terms energy: -101.785687
where:
bonds (distance) C4'-P energy: -21.425
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -24.571
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: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -252.849790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.849790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.849790 (E_RNA)
where:
Base-Base interactions energy: -165.254
where: short stacking energy: -79.241
Base-Backbone interact. energy: -0.607
local terms energy: -86.988254
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -181.105784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.105784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.105784 (E_RNA)
where:
Base-Base interactions energy: -99.051
where: short stacking energy: -62.327
Base-Backbone interact. energy: -0.129
local terms energy: -81.925483
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -10.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -133.951205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.951205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.951205 (E_RNA)
where:
Base-Base interactions energy: -58.919
where: short stacking energy: -57.758
Base-Backbone interact. energy: -0.731
local terms energy: -74.301301
where:
bonds (distance) C4'-P energy: -21.765
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -9.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -153.292952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.292952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.292952 (E_RNA)
where:
Base-Base interactions energy: -75.755
where: short stacking energy: -55.144
Base-Backbone interact. energy: -0.180
local terms energy: -77.357277
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -24.385
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -8.002
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: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -122.415532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.415532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.415532 (E_RNA)
where:
Base-Base interactions energy: -52.836
where: short stacking energy: -26.580
Base-Backbone interact. energy: -0.457
local terms energy: -69.122833
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -107.960351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.960351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.960351 (E_RNA)
where:
Base-Base interactions energy: -40.576
where: short stacking energy: -37.403
Base-Backbone interact. energy: -0.148
local terms energy: -67.236181
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -8.954
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: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -97.189888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.189888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.189888 (E_RNA)
where:
Base-Base interactions energy: -33.363
where: short stacking energy: -33.086
Base-Backbone interact. energy: -0.083
local terms energy: -63.743442
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -9.479
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -298.360636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.360636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.360636 (E_RNA)
where:
Base-Base interactions energy: -193.704
where: short stacking energy: -88.044
Base-Backbone interact. energy: -0.893
local terms energy: -103.763016
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -26.489
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: 2, replica: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -283.965387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.965387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.965387 (E_RNA)
where:
Base-Base interactions energy: -184.262
where: short stacking energy: -80.336
Base-Backbone interact. energy: -0.152
local terms energy: -99.551759
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -16.437
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -279.766373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.766373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.766373 (E_RNA)
where:
Base-Base interactions energy: -195.653
where: short stacking energy: -76.604
Base-Backbone interact. energy: 0.121
local terms energy: -84.233944
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -259.394185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.394185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.394185 (E_RNA)
where:
Base-Base interactions energy: -171.569
where: short stacking energy: -72.102
Base-Backbone interact. energy: -0.189
local terms energy: -87.636177
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -19.778
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: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -191.066986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.066986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.066986 (E_RNA)
where:
Base-Base interactions energy: -103.920
where: short stacking energy: -61.540
Base-Backbone interact. energy: 0.305
local terms energy: -87.452430
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -9.549
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: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -134.998666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.998666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.998666 (E_RNA)
where:
Base-Base interactions energy: -61.265
where: short stacking energy: -43.507
Base-Backbone interact. energy: 2.841
local terms energy: -76.575114
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -132.367604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.367604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.367604 (E_RNA)
where:
Base-Base interactions energy: -62.001
where: short stacking energy: -48.139
Base-Backbone interact. energy: 0.937
local terms energy: -71.303718
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -146.457195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.457195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.457195 (E_RNA)
where:
Base-Base interactions energy: -80.501
where: short stacking energy: -44.634
Base-Backbone interact. energy: -0.049
local terms energy: -65.906470
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -11.036
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: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -105.808896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.808896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.808896 (E_RNA)
where:
Base-Base interactions energy: -37.489
where: short stacking energy: -33.730
Base-Backbone interact. energy: -0.385
local terms energy: -67.934675
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -105.539772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.539772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.539772 (E_RNA)
where:
Base-Base interactions energy: -35.804
where: short stacking energy: -35.199
Base-Backbone interact. energy: -0.348
local terms energy: -69.387482
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -13.396
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -305.479136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.479136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.479136 (E_RNA)
where:
Base-Base interactions energy: -196.792
where: short stacking energy: -89.529
Base-Backbone interact. energy: -0.647
local terms energy: -108.039315
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -22.145
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -27.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -281.977936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.977936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.977936 (E_RNA)
where:
Base-Base interactions energy: -195.118
where: short stacking energy: -80.634
Base-Backbone interact. energy: -0.184
local terms energy: -86.675984
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -270.501994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.501994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.501994 (E_RNA)
where:
Base-Base interactions energy: -176.695
where: short stacking energy: -80.166
Base-Backbone interact. energy: -0.346
local terms energy: -93.461006
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -20.025
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: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -275.788286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.788286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.788286 (E_RNA)
where:
Base-Base interactions energy: -184.909
where: short stacking energy: -70.191
Base-Backbone interact. energy: -0.757
local terms energy: -90.121965
where:
bonds (distance) C4'-P energy: -18.811
bonds (distance) P-C4' energy: -20.854
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -13.286
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: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -202.347381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.347381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.347381 (E_RNA)
where:
Base-Base interactions energy: -115.459
where: short stacking energy: -57.681
Base-Backbone interact. energy: -0.633
local terms energy: -86.254672
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -13.067
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: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -138.026806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.026806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.026806 (E_RNA)
where:
Base-Base interactions energy: -61.160
where: short stacking energy: -57.944
Base-Backbone interact. energy: -0.200
local terms energy: -76.665990
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -9.035
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: 7, replica: 8
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -139.765459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.765459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.765459 (E_RNA)
where:
Base-Base interactions energy: -63.499
where: short stacking energy: -50.944
Base-Backbone interact. energy: -0.095
local terms energy: -76.170752
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -6.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -110.817601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.817601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.817601 (E_RNA)
where:
Base-Base interactions energy: -48.248
where: short stacking energy: -41.233
Base-Backbone interact. energy: -0.859
local terms energy: -61.710063
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -111.498743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.498743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.498743 (E_RNA)
where:
Base-Base interactions energy: -46.341
where: short stacking energy: -37.237
Base-Backbone interact. energy: 0.378
local terms energy: -65.535403
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -2.631
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: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -109.831116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.831116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.831116 (E_RNA)
where:
Base-Base interactions energy: -46.150
where: short stacking energy: -39.976
Base-Backbone interact. energy: -0.943
local terms energy: -62.737699
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: -8.571
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -308.453653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.453653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.453653 (E_RNA)
where:
Base-Base interactions energy: -203.772
where: short stacking energy: -92.442
Base-Backbone interact. energy: -0.112
local terms energy: -104.569899
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -21.147
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -25.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -277.153204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.153204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.153204 (E_RNA)
where:
Base-Base interactions energy: -182.876
where: short stacking energy: -84.528
Base-Backbone interact. energy: -0.186
local terms energy: -94.090920
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -19.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -245.221571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.221571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.221571 (E_RNA)
where:
Base-Base interactions energy: -160.785
where: short stacking energy: -71.107
Base-Backbone interact. energy: -0.772
local terms energy: -83.664074
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -10.424
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: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -286.010000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.010000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.010000 (E_RNA)
where:
Base-Base interactions energy: -186.823
where: short stacking energy: -81.146
Base-Backbone interact. energy: -1.525
local terms energy: -97.662264
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -20.668
flat angles C4'-P-C4' energy: -21.895
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -24.378
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: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -206.013864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.013864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.013864 (E_RNA)
where:
Base-Base interactions energy: -122.490
where: short stacking energy: -71.225
Base-Backbone interact. energy: -0.293
local terms energy: -83.230568
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -21.895
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -13.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -142.379709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.379709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.379709 (E_RNA)
where:
Base-Base interactions energy: -76.395
where: short stacking energy: -42.833
Base-Backbone interact. energy: -0.012
local terms energy: -65.972626
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -24.219
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -131.289496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.289496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.289496 (E_RNA)
where:
Base-Base interactions energy: -60.778
where: short stacking energy: -40.922
Base-Backbone interact. energy: 0.684
local terms energy: -71.195954
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -12.557
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: 8, replica: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -106.210170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.210170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.210170 (E_RNA)
where:
Base-Base interactions energy: -39.721
where: short stacking energy: -39.721
Base-Backbone interact. energy: -0.202
local terms energy: -66.287047
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -5.946
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: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -108.991232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.991232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.991232 (E_RNA)
where:
Base-Base interactions energy: -45.691
where: short stacking energy: -30.069
Base-Backbone interact. energy: 0.725
local terms energy: -64.024693
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: 0.734
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: 4
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -101.114491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.114491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.114491 (E_RNA)
where:
Base-Base interactions energy: -41.845
where: short stacking energy: -21.468
Base-Backbone interact. energy: 1.090
local terms energy: -60.359434
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: 0.435
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -292.492803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.492803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.492803 (E_RNA)
where:
Base-Base interactions energy: -187.234
where: short stacking energy: -86.078
Base-Backbone interact. energy: -1.898
local terms energy: -103.361446
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -28.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -303.904999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.904999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.904999 (E_RNA)
where:
Base-Base interactions energy: -203.818
where: short stacking energy: -96.051
Base-Backbone interact. energy: -0.551
local terms energy: -99.535949
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -21.688
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: -24.806
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: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -302.470800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.470800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.470800 (E_RNA)
where:
Base-Base interactions energy: -192.478
where: short stacking energy: -83.440
Base-Backbone interact. energy: -2.190
local terms energy: -107.802554
where:
bonds (distance) C4'-P energy: -21.259
bonds (distance) P-C4' energy: -21.918
flat angles C4'-P-C4' energy: -19.925
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -24.962
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: 4, replica: 9
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -247.093399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.093399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.093399 (E_RNA)
where:
Base-Base interactions energy: -151.833
where: short stacking energy: -81.371
Base-Backbone interact. energy: -0.666
local terms energy: -94.595238
where:
bonds (distance) C4'-P energy: -18.925
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -20.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -196.034963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.034963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.034963 (E_RNA)
where:
Base-Base interactions energy: -113.810
where: short stacking energy: -53.370
Base-Backbone interact. energy: -0.439
local terms energy: -81.785644
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -126.890987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.890987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.890987 (E_RNA)
where:
Base-Base interactions energy: -50.052
where: short stacking energy: -48.838
Base-Backbone interact. energy: -0.253
local terms energy: -76.585240
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -5.248
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: 7, replica: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -118.317448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.317448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.317448 (E_RNA)
where:
Base-Base interactions energy: -50.147
where: short stacking energy: -36.804
Base-Backbone interact. energy: -0.117
local terms energy: -68.053154
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -147.674674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.674674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.674674 (E_RNA)
where:
Base-Base interactions energy: -78.563
where: short stacking energy: -40.173
Base-Backbone interact. energy: -0.375
local terms energy: -68.736639
where:
bonds (distance) C4'-P energy: -21.391
bonds (distance) P-C4' energy: -21.483
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -119.819524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.819524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.819524 (E_RNA)
where:
Base-Base interactions energy: -47.788
where: short stacking energy: -30.655
Base-Backbone interact. energy: -0.143
local terms energy: -71.889065
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -8.440
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: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -123.174743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.174743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.174743 (E_RNA)
where:
Base-Base interactions energy: -60.497
where: short stacking energy: -34.546
Base-Backbone interact. energy: -0.542
local terms energy: -62.136072
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: 0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -294.988705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.988705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.988705 (E_RNA)
where:
Base-Base interactions energy: -189.145
where: short stacking energy: -91.217
Base-Backbone interact. energy: -0.027
local terms energy: -105.816922
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -28.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -301.365389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.365389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.365389 (E_RNA)
where:
Base-Base interactions energy: -205.429
where: short stacking energy: -86.142
Base-Backbone interact. energy: -2.129
local terms energy: -93.808080
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -21.247
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -19.260
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: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -304.634416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.634416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.634416 (E_RNA)
where:
Base-Base interactions energy: -206.556
where: short stacking energy: -92.076
Base-Backbone interact. energy: -0.272
local terms energy: -97.806494
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -23.898
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: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -236.027698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.027698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.027698 (E_RNA)
where:
Base-Base interactions energy: -144.368
where: short stacking energy: -68.836
Base-Backbone interact. energy: 1.141
local terms energy: -92.800271
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -21.660
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -14.327
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: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -186.728164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.728164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.728164 (E_RNA)
where:
Base-Base interactions energy: -104.237
where: short stacking energy: -59.067
Base-Backbone interact. energy: -0.298
local terms energy: -82.193583
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -17.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -129.310828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.310828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.310828 (E_RNA)
where:
Base-Base interactions energy: -51.314
where: short stacking energy: -41.427
Base-Backbone interact. energy: -0.004
local terms energy: -77.993485
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -10.870
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: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -131.425765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.425765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.425765 (E_RNA)
where:
Base-Base interactions energy: -56.532
where: short stacking energy: -41.608
Base-Backbone interact. energy: -0.812
local terms energy: -74.082283
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -20.525
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -112.187162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.187162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.187162 (E_RNA)
where:
Base-Base interactions energy: -40.263
where: short stacking energy: -36.859
Base-Backbone interact. energy: -0.123
local terms energy: -71.801090
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -104.693383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.693383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.693383 (E_RNA)
where:
Base-Base interactions energy: -39.539
where: short stacking energy: -33.933
Base-Backbone interact. energy: -0.911
local terms energy: -64.243115
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: 4.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -94.378922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.378922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.378922 (E_RNA)
where:
Base-Base interactions energy: -34.082
where: short stacking energy: -30.615
Base-Backbone interact. energy: -0.269
local terms energy: -60.028753
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: 3.530
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -302.976923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.976923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.976923 (E_RNA)
where:
Base-Base interactions energy: -200.854
where: short stacking energy: -87.114
Base-Backbone interact. energy: -0.016
local terms energy: -102.106386
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -20.660
flat angles C4'-P-C4' energy: -25.023
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -22.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -303.056560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.056560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.056560 (E_RNA)
where:
Base-Base interactions energy: -203.068
where: short stacking energy: -94.098
Base-Backbone interact. energy: -0.741
local terms energy: -99.247741
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -17.510
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -292.327291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.327291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.327291 (E_RNA)
where:
Base-Base interactions energy: -205.918
where: short stacking energy: -74.980
Base-Backbone interact. energy: -1.843
local terms energy: -84.565803
where:
bonds (distance) C4'-P energy: -20.153
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -266.127266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.127266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.127266 (E_RNA)
where:
Base-Base interactions energy: -169.976
where: short stacking energy: -69.106
Base-Backbone interact. energy: 0.565
local terms energy: -96.716223
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -22.716
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -22.171
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: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -186.053287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.053287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.053287 (E_RNA)
where:
Base-Base interactions energy: -106.112
where: short stacking energy: -56.785
Base-Backbone interact. energy: -0.895
local terms energy: -79.046488
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -21.930
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -13.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -154.558008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.558008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.558008 (E_RNA)
where:
Base-Base interactions energy: -84.638
where: short stacking energy: -48.531
Base-Backbone interact. energy: 1.155
local terms energy: -71.075673
where:
bonds (distance) C4'-P energy: -22.252
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -9.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -147.672121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.672121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.672121 (E_RNA)
where:
Base-Base interactions energy: -58.878
where: short stacking energy: -45.704
Base-Backbone interact. energy: -0.019
local terms energy: -88.775290
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -18.787
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: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -110.960387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.960387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.960387 (E_RNA)
where:
Base-Base interactions energy: -44.929
where: short stacking energy: -44.929
Base-Backbone interact. energy: 0.376
local terms energy: -66.408277
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -1.811
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: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -112.011007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.011007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.011007 (E_RNA)
where:
Base-Base interactions energy: -47.257
where: short stacking energy: -36.522
Base-Backbone interact. energy: -0.288
local terms energy: -64.466056
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -124.170359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.170359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.170359 (E_RNA)
where:
Base-Base interactions energy: -59.779
where: short stacking energy: -33.760
Base-Backbone interact. energy: -0.261
local terms energy: -64.130813
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -22.959
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: 2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -304.822857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.822857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.822857 (E_RNA)
where:
Base-Base interactions energy: -204.131
where: short stacking energy: -88.111
Base-Backbone interact. energy: -0.648
local terms energy: -100.043870
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -23.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -296.429162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.429162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.429162 (E_RNA)
where:
Base-Base interactions energy: -201.795
where: short stacking energy: -96.969
Base-Backbone interact. energy: -0.908
local terms energy: -93.725962
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -18.987
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -264.604433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.604433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.604433 (E_RNA)
where:
Base-Base interactions energy: -164.613
where: short stacking energy: -72.469
Base-Backbone interact. energy: -0.042
local terms energy: -99.949538
where:
bonds (distance) C4'-P energy: -19.591
bonds (distance) P-C4' energy: -24.417
flat angles C4'-P-C4' energy: -23.410
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -255.161899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.161899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.161899 (E_RNA)
where:
Base-Base interactions energy: -160.570
where: short stacking energy: -84.137
Base-Backbone interact. energy: -0.730
local terms energy: -93.861513
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -19.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -223.483721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.483721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.483721 (E_RNA)
where:
Base-Base interactions energy: -125.128
where: short stacking energy: -76.719
Base-Backbone interact. energy: 1.873
local terms energy: -100.228817
where:
bonds (distance) C4'-P energy: -19.574
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -23.962
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -21.030
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: 2
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -133.217925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.217925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.217925 (E_RNA)
where:
Base-Base interactions energy: -60.082
where: short stacking energy: -49.415
Base-Backbone interact. energy: -0.518
local terms energy: -72.618322
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -7.408
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: 4
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -122.137985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.137985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.137985 (E_RNA)
where:
Base-Base interactions energy: -51.711
where: short stacking energy: -47.074
Base-Backbone interact. energy: -0.376
local terms energy: -70.050290
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -7.392
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: 435
Temperature: 1.250000
Total energy: -113.862604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.862604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.862604 (E_RNA)
where:
Base-Base interactions energy: -40.906
where: short stacking energy: -37.283
Base-Backbone interact. energy: 2.073
local terms energy: -75.029865
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -8.976
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: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -102.454314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.454314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.454314 (E_RNA)
where:
Base-Base interactions energy: -40.537
where: short stacking energy: -40.537
Base-Backbone interact. energy: -0.120
local terms energy: -61.797423
where:
bonds (distance) C4'-P energy: -20.782
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -138.181492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.181492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.181492 (E_RNA)
where:
Base-Base interactions energy: -59.002
where: short stacking energy: -38.953
Base-Backbone interact. energy: -0.100
local terms energy: -79.079492
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -16.343
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -308.998014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.998014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.998014 (E_RNA)
where:
Base-Base interactions energy: -207.470
where: short stacking energy: -95.379
Base-Backbone interact. energy: -0.574
local terms energy: -100.954134
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -15.749
tors. eta vs tors. theta energy: -25.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -298.070089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.070089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.070089 (E_RNA)
where:
Base-Base interactions energy: -188.651
where: short stacking energy: -82.162
Base-Backbone interact. energy: -1.523
local terms energy: -107.895559
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -22.625
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -24.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -248.837031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.837031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.837031 (E_RNA)
where:
Base-Base interactions energy: -162.255
where: short stacking energy: -88.323
Base-Backbone interact. energy: 2.660
local terms energy: -89.241891
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -24.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -256.952790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.952790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.952790 (E_RNA)
where:
Base-Base interactions energy: -171.012
where: short stacking energy: -89.529
Base-Backbone interact. energy: -0.638
local terms energy: -85.302944
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -23.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -223.434762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.434762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.434762 (E_RNA)
where:
Base-Base interactions energy: -136.311
where: short stacking energy: -78.627
Base-Backbone interact. energy: -0.113
local terms energy: -87.011620
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -17.458
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: 2
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -121.076207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.076207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.076207 (E_RNA)
where:
Base-Base interactions energy: -53.643
where: short stacking energy: -44.046
Base-Backbone interact. energy: -0.549
local terms energy: -66.884352
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -13.803
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: 7, replica: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -128.191431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.191431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.191431 (E_RNA)
where:
Base-Base interactions energy: -60.005
where: short stacking energy: -56.776
Base-Backbone interact. energy: 2.223
local terms energy: -70.409557
where:
bonds (distance) C4'-P energy: -23.329
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -6.224
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: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -115.200064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.200064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.200064 (E_RNA)
where:
Base-Base interactions energy: -45.981
where: short stacking energy: -43.329
Base-Backbone interact. energy: 0.750
local terms energy: -69.969453
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -107.749131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.749131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.749131 (E_RNA)
where:
Base-Base interactions energy: -44.642
where: short stacking energy: -38.570
Base-Backbone interact. energy: -0.232
local terms energy: -62.875644
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -8.955
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: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -130.169424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.169424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.169424 (E_RNA)
where:
Base-Base interactions energy: -62.011
where: short stacking energy: -41.817
Base-Backbone interact. energy: -0.123
local terms energy: -68.035453
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -6.765
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -320.362757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.362757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.362757 (E_RNA)
where:
Base-Base interactions energy: -219.154
where: short stacking energy: -88.057
Base-Backbone interact. energy: -0.403
local terms energy: -100.806643
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -16.016
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: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -290.396302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.396302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.396302 (E_RNA)
where:
Base-Base interactions energy: -194.526
where: short stacking energy: -81.229
Base-Backbone interact. energy: -1.603
local terms energy: -94.267370
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -22.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -257.974229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.974229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.974229 (E_RNA)
where:
Base-Base interactions energy: -163.611
where: short stacking energy: -90.143
Base-Backbone interact. energy: -1.198
local terms energy: -93.165162
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -21.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -242.971364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.971364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.971364 (E_RNA)
where:
Base-Base interactions energy: -150.979
where: short stacking energy: -69.522
Base-Backbone interact. energy: -0.391
local terms energy: -91.600699
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -20.654
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: 5, replica: 1
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -196.447436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.447436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.447436 (E_RNA)
where:
Base-Base interactions energy: -109.162
where: short stacking energy: -66.693
Base-Backbone interact. energy: -0.167
local terms energy: -87.117889
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -21.629
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -122.380989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.380989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.380989 (E_RNA)
where:
Base-Base interactions energy: -60.368
where: short stacking energy: -49.938
Base-Backbone interact. energy: -0.188
local terms energy: -61.824578
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -2.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -122.293228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.293228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.293228 (E_RNA)
where:
Base-Base interactions energy: -45.242
where: short stacking energy: -26.152
Base-Backbone interact. energy: -0.396
local terms energy: -76.654935
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -2.263
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: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -115.864631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.864631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.864631 (E_RNA)
where:
Base-Base interactions energy: -67.583
where: short stacking energy: -33.319
Base-Backbone interact. energy: -0.306
local terms energy: -47.974953
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -4.209
tors. eta vs tors. theta energy: 2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -113.449452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.449452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.449452 (E_RNA)
where:
Base-Base interactions energy: -55.056
where: short stacking energy: -49.252
Base-Backbone interact. energy: -0.809
local terms energy: -57.584929
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -100.086669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.086669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.086669 (E_RNA)
where:
Base-Base interactions energy: -29.434
where: short stacking energy: -20.747
Base-Backbone interact. energy: 0.453
local terms energy: -71.105843
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -308.104997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.104997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.104997 (E_RNA)
where:
Base-Base interactions energy: -207.415
where: short stacking energy: -91.924
Base-Backbone interact. energy: -0.635
local terms energy: -100.055389
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -26.089
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: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -296.654925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.654925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.654925 (E_RNA)
where:
Base-Base interactions energy: -197.616
where: short stacking energy: -92.106
Base-Backbone interact. energy: -0.149
local terms energy: -98.889551
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -25.918
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: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -255.895850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.895850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.895850 (E_RNA)
where:
Base-Base interactions energy: -153.612
where: short stacking energy: -82.671
Base-Backbone interact. energy: -0.181
local terms energy: -102.102255
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -25.031
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -21.068
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: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -279.160962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.160962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.160962 (E_RNA)
where:
Base-Base interactions energy: -173.955
where: short stacking energy: -80.209
Base-Backbone interact. energy: -0.018
local terms energy: -105.187888
where:
bonds (distance) C4'-P energy: -21.355
bonds (distance) P-C4' energy: -24.439
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -25.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -205.196001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.196001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.196001 (E_RNA)
where:
Base-Base interactions energy: -110.670
where: short stacking energy: -67.028
Base-Backbone interact. energy: -0.417
local terms energy: -94.109421
where:
bonds (distance) C4'-P energy: -23.287
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -130.892653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.892653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.892653 (E_RNA)
where:
Base-Base interactions energy: -56.969
where: short stacking energy: -52.483
Base-Backbone interact. energy: -0.421
local terms energy: -73.503350
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -164.857029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.857029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.857029 (E_RNA)
where:
Base-Base interactions energy: -90.298
where: short stacking energy: -53.403
Base-Backbone interact. energy: -1.357
local terms energy: -73.202061
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -107.841995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.841995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.841995 (E_RNA)
where:
Base-Base interactions energy: -45.999
where: short stacking energy: -38.339
Base-Backbone interact. energy: -0.532
local terms energy: -61.311374
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -107.639772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.639772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.639772 (E_RNA)
where:
Base-Base interactions energy: -40.144
where: short stacking energy: -41.454
Base-Backbone interact. energy: -0.229
local terms energy: -67.266279
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -97.552190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.552190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.552190 (E_RNA)
where:
Base-Base interactions energy: -34.590
where: short stacking energy: -32.224
Base-Backbone interact. energy: -0.683
local terms energy: -62.278314
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -2.186
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -316.049994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.049994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.049994 (E_RNA)
where:
Base-Base interactions energy: -207.481
where: short stacking energy: -94.508
Base-Backbone interact. energy: -0.123
local terms energy: -108.445722
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -23.761
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -30.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -298.424666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.424666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.424666 (E_RNA)
where:
Base-Base interactions energy: -204.258
where: short stacking energy: -84.245
Base-Backbone interact. energy: -1.239
local terms energy: -92.927486
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -24.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -247.819315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.819315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.819315 (E_RNA)
where:
Base-Base interactions energy: -149.516
where: short stacking energy: -80.766
Base-Backbone interact. energy: -0.791
local terms energy: -97.512862
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -265.248776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.248776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.248776 (E_RNA)
where:
Base-Base interactions energy: -165.074
where: short stacking energy: -78.883
Base-Backbone interact. energy: -0.034
local terms energy: -100.140953
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -199.927504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.927504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.927504 (E_RNA)
where:
Base-Base interactions energy: -112.811
where: short stacking energy: -57.016
Base-Backbone interact. energy: -0.009
local terms energy: -87.106717
where:
bonds (distance) C4'-P energy: -20.972
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -18.972
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: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -178.815395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.815395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.815395 (E_RNA)
where:
Base-Base interactions energy: -91.149
where: short stacking energy: -60.776
Base-Backbone interact. energy: -0.037
local terms energy: -87.629792
where:
bonds (distance) C4'-P energy: -22.353
bonds (distance) P-C4' energy: -21.262
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -116.088361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.088361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.088361 (E_RNA)
where:
Base-Base interactions energy: -58.276
where: short stacking energy: -38.352
Base-Backbone interact. energy: -0.271
local terms energy: -57.541584
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -5.036
flat angles P-C4'-P energy: -10.833
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: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -114.791864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.791864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.791864 (E_RNA)
where:
Base-Base interactions energy: -51.367
where: short stacking energy: -34.015
Base-Backbone interact. energy: -0.459
local terms energy: -62.966035
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -110.458617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.458617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.458617 (E_RNA)
where:
Base-Base interactions energy: -44.466
where: short stacking energy: -35.021
Base-Backbone interact. energy: -0.254
local terms energy: -65.738902
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -103.377394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.377394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.377394 (E_RNA)
where:
Base-Base interactions energy: -41.038
where: short stacking energy: -23.587
Base-Backbone interact. energy: -0.739
local terms energy: -61.600748
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -299.038480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.038480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.038480 (E_RNA)
where:
Base-Base interactions energy: -204.764
where: short stacking energy: -90.796
Base-Backbone interact. energy: -0.010
local terms energy: -94.264327
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -25.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -288.983027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.983027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.983027 (E_RNA)
where:
Base-Base interactions energy: -189.867
where: short stacking energy: -90.470
Base-Backbone interact. energy: 0.056
local terms energy: -99.171852
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -27.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -283.003600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.003600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.003600 (E_RNA)
where:
Base-Base interactions energy: -183.320
where: short stacking energy: -79.520
Base-Backbone interact. energy: -1.479
local terms energy: -98.204551
where:
bonds (distance) C4'-P energy: -21.326
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -26.015
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: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -240.769254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.769254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.769254 (E_RNA)
where:
Base-Base interactions energy: -150.992
where: short stacking energy: -77.956
Base-Backbone interact. energy: 0.571
local terms energy: -90.348133
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -184.194910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.194910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.194910 (E_RNA)
where:
Base-Base interactions energy: -111.509
where: short stacking energy: -50.098
Base-Backbone interact. energy: -0.616
local terms energy: -72.069551
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -7.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -189.688936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.688936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.688936 (E_RNA)
where:
Base-Base interactions energy: -107.124
where: short stacking energy: -64.316
Base-Backbone interact. energy: 0.465
local terms energy: -83.029542
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -13.122
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: 7, replica: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -113.871309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.871309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.871309 (E_RNA)
where:
Base-Base interactions energy: -39.714
where: short stacking energy: -30.913
Base-Backbone interact. energy: -1.118
local terms energy: -73.039385
where:
bonds (distance) C4'-P energy: -23.712
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -116.056992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.056992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.056992 (E_RNA)
where:
Base-Base interactions energy: -49.118
where: short stacking energy: -43.527
Base-Backbone interact. energy: 2.133
local terms energy: -69.071960
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -115.629682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.629682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.629682 (E_RNA)
where:
Base-Base interactions energy: -53.479
where: short stacking energy: -35.481
Base-Backbone interact. energy: -0.513
local terms energy: -61.638416
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -107.267699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.267699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.267699 (E_RNA)
where:
Base-Base interactions energy: -47.400
where: short stacking energy: -29.874
Base-Backbone interact. energy: -1.302
local terms energy: -58.565050
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -3.880
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -309.488932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.488932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.488932 (E_RNA)
where:
Base-Base interactions energy: -211.204
where: short stacking energy: -90.984
Base-Backbone interact. energy: -0.079
local terms energy: -98.205654
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -27.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -286.062428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.062428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.062428 (E_RNA)
where:
Base-Base interactions energy: -186.216
where: short stacking energy: -88.022
Base-Backbone interact. energy: -0.567
local terms energy: -99.278788
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -22.325
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -21.887
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: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -288.318157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.318157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.318157 (E_RNA)
where:
Base-Base interactions energy: -185.902
where: short stacking energy: -84.783
Base-Backbone interact. energy: -0.151
local terms energy: -102.265541
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -25.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -235.273942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.273942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.273942 (E_RNA)
where:
Base-Base interactions energy: -144.482
where: short stacking energy: -76.550
Base-Backbone interact. energy: 0.079
local terms energy: -90.871625
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -20.625
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -22.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -168.337198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.337198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.337198 (E_RNA)
where:
Base-Base interactions energy: -90.474
where: short stacking energy: -52.640
Base-Backbone interact. energy: -0.258
local terms energy: -77.605447
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -9.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -128.796894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.796894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.796894 (E_RNA)
where:
Base-Base interactions energy: -55.148
where: short stacking energy: -33.721
Base-Backbone interact. energy: -0.321
local terms energy: -73.327883
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -0.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -171.498366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.498366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.498366 (E_RNA)
where:
Base-Base interactions energy: -101.422
where: short stacking energy: -53.036
Base-Backbone interact. energy: -0.737
local terms energy: -69.339398
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -9.199
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: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -107.086258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.086258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.086258 (E_RNA)
where:
Base-Base interactions energy: -53.012
where: short stacking energy: -24.725
Base-Backbone interact. energy: -0.646
local terms energy: -53.428334
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: 3.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -110.449501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.449501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.449501 (E_RNA)
where:
Base-Base interactions energy: -45.648
where: short stacking energy: -35.439
Base-Backbone interact. energy: -0.799
local terms energy: -64.001824
where:
bonds (distance) C4'-P energy: -22.787
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -0.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -94.707447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.707447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.707447 (E_RNA)
where:
Base-Base interactions energy: -34.280
where: short stacking energy: -30.891
Base-Backbone interact. energy: -0.027
local terms energy: -60.401141
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -2.294
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -311.407846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.407846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.407846 (E_RNA)
where:
Base-Base interactions energy: -208.427
where: short stacking energy: -102.845
Base-Backbone interact. energy: -1.081
local terms energy: -101.899661
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -25.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -292.863192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.863192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.863192 (E_RNA)
where:
Base-Base interactions energy: -188.311
where: short stacking energy: -95.332
Base-Backbone interact. energy: -1.991
local terms energy: -102.561714
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -23.574
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -26.330
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: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -277.539434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.539434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.539434 (E_RNA)
where:
Base-Base interactions energy: -184.201
where: short stacking energy: -89.081
Base-Backbone interact. energy: -0.569
local terms energy: -92.769826
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -276.867524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.867524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.867524 (E_RNA)
where:
Base-Base interactions energy: -186.038
where: short stacking energy: -92.850
Base-Backbone interact. energy: -0.033
local terms energy: -90.796781
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -23.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -182.250703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.250703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.250703 (E_RNA)
where:
Base-Base interactions energy: -95.816
where: short stacking energy: -58.106
Base-Backbone interact. energy: -0.486
local terms energy: -85.949407
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -12.438
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: 6, replica: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -166.530321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.530321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.530321 (E_RNA)
where:
Base-Base interactions energy: -90.858
where: short stacking energy: -50.851
Base-Backbone interact. energy: -0.234
local terms energy: -75.437864
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -6.428
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: 7, replica: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -171.370993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.370993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.370993 (E_RNA)
where:
Base-Base interactions energy: -96.345
where: short stacking energy: -54.214
Base-Backbone interact. energy: 1.204
local terms energy: -76.229274
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -11.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -117.638471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.638471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.638471 (E_RNA)
where:
Base-Base interactions energy: -55.900
where: short stacking energy: -42.061
Base-Backbone interact. energy: -0.446
local terms energy: -61.292162
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -4.188
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: 9, replica: 2
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -108.943098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.943098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.943098 (E_RNA)
where:
Base-Base interactions energy: -46.863
where: short stacking energy: -40.807
Base-Backbone interact. energy: -0.343
local terms energy: -61.737041
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -102.361437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.361437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.361437 (E_RNA)
where:
Base-Base interactions energy: -48.823
where: short stacking energy: -36.803
Base-Backbone interact. energy: 0.630
local terms energy: -54.168806
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -4.320
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -308.702051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.702051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.702051 (E_RNA)
where:
Base-Base interactions energy: -208.131
where: short stacking energy: -93.938
Base-Backbone interact. energy: -3.029
local terms energy: -97.542092
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -24.019
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -21.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -262.689622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.689622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.689622 (E_RNA)
where:
Base-Base interactions energy: -166.405
where: short stacking energy: -96.279
Base-Backbone interact. energy: -0.500
local terms energy: -95.784265
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: -23.353
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: 443
Temperature: 1.000000
Total energy: -264.570747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.570747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.570747 (E_RNA)
where:
Base-Base interactions energy: -179.239
where: short stacking energy: -87.319
Base-Backbone interact. energy: -0.008
local terms energy: -85.323814
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -26.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -265.081950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.081950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.081950 (E_RNA)
where:
Base-Base interactions energy: -171.562
where: short stacking energy: -77.406
Base-Backbone interact. energy: -0.310
local terms energy: -93.210641
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -21.879
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: 5, replica: 10
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -158.101439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.101439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.101439 (E_RNA)
where:
Base-Base interactions energy: -87.812
where: short stacking energy: -57.369
Base-Backbone interact. energy: -0.576
local terms energy: -69.712964
where:
bonds (distance) C4'-P energy: -21.528
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -8.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -183.057821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.057821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.057821 (E_RNA)
where:
Base-Base interactions energy: -104.109
where: short stacking energy: -58.853
Base-Backbone interact. energy: -0.418
local terms energy: -78.531412
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -11.253
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: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -153.292937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.292937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.292937 (E_RNA)
where:
Base-Base interactions energy: -95.303
where: short stacking energy: -39.355
Base-Backbone interact. energy: -0.195
local terms energy: -57.795574
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -1.386
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: 2
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -111.401360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.401360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.401360 (E_RNA)
where:
Base-Base interactions energy: -53.959
where: short stacking energy: -30.449
Base-Backbone interact. energy: -0.365
local terms energy: -57.077161
where:
bonds (distance) C4'-P energy: -21.557
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: 4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -113.857363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.857363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.857363 (E_RNA)
where:
Base-Base interactions energy: -53.457
where: short stacking energy: -41.863
Base-Backbone interact. energy: -0.247
local terms energy: -60.154124
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -110.056200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.056200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.056200 (E_RNA)
where:
Base-Base interactions energy: -60.385
where: short stacking energy: -33.953
Base-Backbone interact. energy: 0.413
local terms energy: -50.084485
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -2.705
tors. eta vs tors. theta energy: -0.932
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -305.505439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.505439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.505439 (E_RNA)
where:
Base-Base interactions energy: -203.414
where: short stacking energy: -85.814
Base-Backbone interact. energy: -0.069
local terms energy: -102.022851
where:
bonds (distance) C4'-P energy: -24.347
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -21.137
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: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -264.557820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.557820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.557820 (E_RNA)
where:
Base-Base interactions energy: -169.130
where: short stacking energy: -83.725
Base-Backbone interact. energy: -0.827
local terms energy: -94.601109
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -20.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -273.698326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.698326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.698326 (E_RNA)
where:
Base-Base interactions energy: -178.462
where: short stacking energy: -80.304
Base-Backbone interact. energy: 0.588
local terms energy: -95.824781
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -24.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -266.793574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.793574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.793574 (E_RNA)
where:
Base-Base interactions energy: -169.484
where: short stacking energy: -95.779
Base-Backbone interact. energy: -1.893
local terms energy: -95.416624
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -22.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -183.499083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.499083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.499083 (E_RNA)
where:
Base-Base interactions energy: -99.554
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.049
local terms energy: -83.896103
where:
bonds (distance) C4'-P energy: -17.789
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -169.579110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.579110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.579110 (E_RNA)
where:
Base-Base interactions energy: -93.365
where: short stacking energy: -46.483
Base-Backbone interact. energy: -0.113
local terms energy: -76.100513
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -13.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -123.848903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.848903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.848903 (E_RNA)
where:
Base-Base interactions energy: -58.861
where: short stacking energy: -47.904
Base-Backbone interact. energy: -0.903
local terms energy: -64.085500
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: 0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -110.520741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.520741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.520741 (E_RNA)
where:
Base-Base interactions energy: -42.766
where: short stacking energy: -39.947
Base-Backbone interact. energy: -0.329
local terms energy: -67.425376
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -103.263427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.263427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.263427 (E_RNA)
where:
Base-Base interactions energy: -29.268
where: short stacking energy: -26.222
Base-Backbone interact. energy: -0.310
local terms energy: -73.684532
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -110.432286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.432286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.432286 (E_RNA)
where:
Base-Base interactions energy: -49.603
where: short stacking energy: -42.458
Base-Backbone interact. energy: -0.102
local terms energy: -60.727285
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -4.280
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -298.849965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.849965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.849965 (E_RNA)
where:
Base-Base interactions energy: -200.572
where: short stacking energy: -91.435
Base-Backbone interact. energy: -0.653
local terms energy: -97.624834
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -24.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -281.406504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.406504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.406504 (E_RNA)
where:
Base-Base interactions energy: -179.808
where: short stacking energy: -93.181
Base-Backbone interact. energy: -0.026
local terms energy: -101.572604
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -22.795
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -27.366
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: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -267.878055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.878055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.878055 (E_RNA)
where:
Base-Base interactions energy: -172.258
where: short stacking energy: -85.874
Base-Backbone interact. energy: -0.756
local terms energy: -94.864281
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -24.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -245.470547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.470547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.470547 (E_RNA)
where:
Base-Base interactions energy: -154.947
where: short stacking energy: -68.074
Base-Backbone interact. energy: -0.096
local terms energy: -90.427695
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -21.048
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: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -194.666051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.666051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.666051 (E_RNA)
where:
Base-Base interactions energy: -113.596
where: short stacking energy: -59.931
Base-Backbone interact. energy: -0.221
local terms energy: -80.848512
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -157.959940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.959940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.959940 (E_RNA)
where:
Base-Base interactions energy: -76.813
where: short stacking energy: -51.407
Base-Backbone interact. energy: -0.127
local terms energy: -81.019934
where:
bonds (distance) C4'-P energy: -23.416
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -11.428
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: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -130.440471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.440471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.440471 (E_RNA)
where:
Base-Base interactions energy: -52.926
where: short stacking energy: -51.644
Base-Backbone interact. energy: 0.067
local terms energy: -77.581846
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -22.261
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -10.955
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: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -128.251388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.251388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.251388 (E_RNA)
where:
Base-Base interactions energy: -62.591
where: short stacking energy: -53.384
Base-Backbone interact. energy: 0.760
local terms energy: -66.420567
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -110.223976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.223976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.223976 (E_RNA)
where:
Base-Base interactions energy: -42.476
where: short stacking energy: -40.580
Base-Backbone interact. energy: 0.354
local terms energy: -68.102181
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -13.086
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: 10, replica: 4
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -108.927933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.927933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.927933 (E_RNA)
where:
Base-Base interactions energy: -38.378
where: short stacking energy: -38.378
Base-Backbone interact. energy: -0.116
local terms energy: -70.434030
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -9.771
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -295.250648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.250648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.250648 (E_RNA)
where:
Base-Base interactions energy: -197.905
where: short stacking energy: -84.172
Base-Backbone interact. energy: -0.154
local terms energy: -97.191595
where:
bonds (distance) C4'-P energy: -19.786
bonds (distance) P-C4' energy: -23.559
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -20.792
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: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -282.222118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.222118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.222118 (E_RNA)
where:
Base-Base interactions energy: -193.619
where: short stacking energy: -93.992
Base-Backbone interact. energy: -0.226
local terms energy: -88.376645
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -18.867
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -21.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -257.969698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.969698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.969698 (E_RNA)
where:
Base-Base interactions energy: -156.968
where: short stacking energy: -86.888
Base-Backbone interact. energy: -0.985
local terms energy: -100.016805
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -26.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -283.727902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.727902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.727902 (E_RNA)
where:
Base-Base interactions energy: -178.828
where: short stacking energy: -86.132
Base-Backbone interact. energy: -0.399
local terms energy: -104.501086
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -23.802
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -25.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -182.430498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.430498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.430498 (E_RNA)
where:
Base-Base interactions energy: -95.831
where: short stacking energy: -62.476
Base-Backbone interact. energy: -0.045
local terms energy: -86.554688
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -13.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -178.439638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.439638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.439638 (E_RNA)
where:
Base-Base interactions energy: -111.951
where: short stacking energy: -62.568
Base-Backbone interact. energy: 0.705
local terms energy: -67.193567
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -10.670
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: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -196.898598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.898598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.898598 (E_RNA)
where:
Base-Base interactions energy: -117.952
where: short stacking energy: -69.245
Base-Backbone interact. energy: -0.794
local terms energy: -78.152839
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -16.529
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: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -112.383775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.383775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.383775 (E_RNA)
where:
Base-Base interactions energy: -41.823
where: short stacking energy: -25.928
Base-Backbone interact. energy: -0.039
local terms energy: -70.521461
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: 0.168
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: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -105.642551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.642551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.642551 (E_RNA)
where:
Base-Base interactions energy: -38.231
where: short stacking energy: -33.945
Base-Backbone interact. energy: -0.477
local terms energy: -66.934504
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -2.554
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: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -102.145548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.145548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.145548 (E_RNA)
where:
Base-Base interactions energy: -35.478
where: short stacking energy: -27.935
Base-Backbone interact. energy: 1.215
local terms energy: -67.882553
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -2.471
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -299.639927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.639927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.639927 (E_RNA)
where:
Base-Base interactions energy: -207.221
where: short stacking energy: -89.799
Base-Backbone interact. energy: -0.781
local terms energy: -91.638647
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -19.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -289.534495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.534495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.534495 (E_RNA)
where:
Base-Base interactions energy: -189.636
where: short stacking energy: -100.309
Base-Backbone interact. energy: -0.333
local terms energy: -99.565796
where:
bonds (distance) C4'-P energy: -21.387
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -25.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -253.171240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.171240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.171240 (E_RNA)
where:
Base-Base interactions energy: -152.209
where: short stacking energy: -78.645
Base-Backbone interact. energy: -0.372
local terms energy: -100.589349
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -23.206
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -22.280
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: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -283.151661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.151661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.151661 (E_RNA)
where:
Base-Base interactions energy: -190.301
where: short stacking energy: -91.499
Base-Backbone interact. energy: -0.211
local terms energy: -92.639460
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -24.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -178.608495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.608495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.608495 (E_RNA)
where:
Base-Base interactions energy: -98.472
where: short stacking energy: -59.389
Base-Backbone interact. energy: -0.131
local terms energy: -80.005622
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -23.759
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -13.024
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: 6, replica: 2
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -197.328260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.328260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.328260 (E_RNA)
where:
Base-Base interactions energy: -115.981
where: short stacking energy: -68.264
Base-Backbone interact. energy: -0.027
local terms energy: -81.320683
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -161.681962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.681962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.681962 (E_RNA)
where:
Base-Base interactions energy: -79.788
where: short stacking energy: -50.195
Base-Backbone interact. energy: -0.214
local terms energy: -81.679282
where:
bonds (distance) C4'-P energy: -20.568
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -12.505
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: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -109.080748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.080748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.080748 (E_RNA)
where:
Base-Base interactions energy: -51.467
where: short stacking energy: -33.365
Base-Backbone interact. energy: -0.210
local terms energy: -57.403282
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: 3.991
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: 1
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -108.365806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.365806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.365806 (E_RNA)
where:
Base-Base interactions energy: -47.584
where: short stacking energy: -37.896
Base-Backbone interact. energy: -0.041
local terms energy: -60.740736
where:
bonds (distance) C4'-P energy: -7.940
bonds (distance) P-C4' energy: -20.625
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -18.514
tors. eta vs tors. theta energy: -3.616
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: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -95.572638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.572638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.572638 (E_RNA)
where:
Base-Base interactions energy: -25.770
where: short stacking energy: -25.593
Base-Backbone interact. energy: -0.267
local terms energy: -69.536253
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -11.458
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -287.013908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.013908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.013908 (E_RNA)
where:
Base-Base interactions energy: -188.287
where: short stacking energy: -92.942
Base-Backbone interact. energy: -0.066
local terms energy: -98.660726
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -24.147
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -23.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -288.695831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.695831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.695831 (E_RNA)
where:
Base-Base interactions energy: -202.123
where: short stacking energy: -86.126
Base-Backbone interact. energy: -1.258
local terms energy: -85.314614
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -10.439
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: 3, replica: 6
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -285.755787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.755787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.755787 (E_RNA)
where:
Base-Base interactions energy: -180.048
where: short stacking energy: -88.036
Base-Backbone interact. energy: -0.191
local terms energy: -105.516032
where:
bonds (distance) C4'-P energy: -21.432
bonds (distance) P-C4' energy: -22.360
flat angles C4'-P-C4' energy: -24.192
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -24.206
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: 9
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -254.178257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.178257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.178257 (E_RNA)
where:
Base-Base interactions energy: -162.593
where: short stacking energy: -77.395
Base-Backbone interact. energy: -0.587
local terms energy: -90.998193
where:
bonds (distance) C4'-P energy: -24.004
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -199.136955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.136955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.136955 (E_RNA)
where:
Base-Base interactions energy: -115.511
where: short stacking energy: -77.453
Base-Backbone interact. energy: -0.041
local terms energy: -83.584776
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -21.628
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -21.463
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: 7
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -169.660232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.660232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.660232 (E_RNA)
where:
Base-Base interactions energy: -91.959
where: short stacking energy: -50.304
Base-Backbone interact. energy: -0.301
local terms energy: -77.399974
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -154.112189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.112189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.112189 (E_RNA)
where:
Base-Base interactions energy: -74.970
where: short stacking energy: -50.816
Base-Backbone interact. energy: -0.564
local terms energy: -78.578658
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -130.087663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.087663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.087663 (E_RNA)
where:
Base-Base interactions energy: -62.296
where: short stacking energy: -46.694
Base-Backbone interact. energy: -0.067
local terms energy: -67.724486
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -102.443564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.443564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.443564 (E_RNA)
where:
Base-Base interactions energy: -41.301
where: short stacking energy: -38.273
Base-Backbone interact. energy: -0.262
local terms energy: -60.879955
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -109.940494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.940494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.940494 (E_RNA)
where:
Base-Base interactions energy: -42.872
where: short stacking energy: -31.645
Base-Backbone interact. energy: -0.320
local terms energy: -66.748553
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -17.617
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -286.069435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.069435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.069435 (E_RNA)
where:
Base-Base interactions energy: -189.436
where: short stacking energy: -84.108
Base-Backbone interact. energy: -0.338
local terms energy: -96.295644
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -22.570
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: 6
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -293.443423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.443423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.443423 (E_RNA)
where:
Base-Base interactions energy: -194.120
where: short stacking energy: -94.200
Base-Backbone interact. energy: 1.565
local terms energy: -100.888181
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -29.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -285.342209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.342209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.342209 (E_RNA)
where:
Base-Base interactions energy: -207.957
where: short stacking energy: -84.423
Base-Backbone interact. energy: 0.012
local terms energy: -77.396855
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -22.713
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: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -256.928790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.928790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.928790 (E_RNA)
where:
Base-Base interactions energy: -175.083
where: short stacking energy: -83.907
Base-Backbone interact. energy: 1.728
local terms energy: -83.573549
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -214.774656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.774656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.774656 (E_RNA)
where:
Base-Base interactions energy: -123.741
where: short stacking energy: -71.493
Base-Backbone interact. energy: -0.060
local terms energy: -90.974276
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -20.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -149.303120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.303120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.303120 (E_RNA)
where:
Base-Base interactions energy: -80.519
where: short stacking energy: -43.598
Base-Backbone interact. energy: -0.604
local terms energy: -68.180315
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -9.589
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: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -158.753038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.753038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.753038 (E_RNA)
where:
Base-Base interactions energy: -83.016
where: short stacking energy: -60.177
Base-Backbone interact. energy: -0.123
local terms energy: -75.614393
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -10.429
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: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -116.140060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.140060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.140060 (E_RNA)
where:
Base-Base interactions energy: -45.291
where: short stacking energy: -32.749
Base-Backbone interact. energy: -1.146
local terms energy: -69.702618
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -6.091
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: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -101.969477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.969477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.969477 (E_RNA)
where:
Base-Base interactions energy: -34.294
where: short stacking energy: -34.263
Base-Backbone interact. energy: -0.165
local terms energy: -67.510961
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -24.756
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: 0.311
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: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -97.945072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.945072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.945072 (E_RNA)
where:
Base-Base interactions energy: -35.199
where: short stacking energy: -27.646
Base-Backbone interact. energy: -0.147
local terms energy: -62.599253
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: 0.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -294.549690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.549690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.549690 (E_RNA)
where:
Base-Base interactions energy: -194.974
where: short stacking energy: -88.157
Base-Backbone interact. energy: -0.118
local terms energy: -99.457618
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -24.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -289.679204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.679204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.679204 (E_RNA)
where:
Base-Base interactions energy: -196.682
where: short stacking energy: -96.650
Base-Backbone interact. energy: -0.121
local terms energy: -92.876806
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -244.617959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.617959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.617959 (E_RNA)
where:
Base-Base interactions energy: -164.528
where: short stacking energy: -75.005
Base-Backbone interact. energy: -0.082
local terms energy: -80.008141
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -266.915098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.915098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.915098 (E_RNA)
where:
Base-Base interactions energy: -178.450
where: short stacking energy: -76.053
Base-Backbone interact. energy: -0.722
local terms energy: -87.743435
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -17.181
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: 2
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -190.966703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.966703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.966703 (E_RNA)
where:
Base-Base interactions energy: -109.098
where: short stacking energy: -65.869
Base-Backbone interact. energy: -0.403
local terms energy: -81.465870
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -17.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -139.086819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.086819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.086819 (E_RNA)
where:
Base-Base interactions energy: -67.267
where: short stacking energy: -54.101
Base-Backbone interact. energy: -0.603
local terms energy: -71.217554
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -20.019
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -7.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -123.765504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.765504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.765504 (E_RNA)
where:
Base-Base interactions energy: -59.075
where: short stacking energy: -53.674
Base-Backbone interact. energy: -0.399
local terms energy: -64.291564
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -148.250920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.250920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.250920 (E_RNA)
where:
Base-Base interactions energy: -81.262
where: short stacking energy: -37.699
Base-Backbone interact. energy: 4.856
local terms energy: -71.844302
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -12.712
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: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -106.182041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.182041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.182041 (E_RNA)
where:
Base-Base interactions energy: -42.519
where: short stacking energy: -41.975
Base-Backbone interact. energy: -0.176
local terms energy: -63.486801
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -105.331089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.331089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.331089 (E_RNA)
where:
Base-Base interactions energy: -39.318
where: short stacking energy: -33.864
Base-Backbone interact. energy: 0.230
local terms energy: -66.243707
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: 0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -304.395579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.395579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.395579 (E_RNA)
where:
Base-Base interactions energy: -199.748
where: short stacking energy: -88.672
Base-Backbone interact. energy: -0.121
local terms energy: -104.526629
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -25.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -299.166044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.166044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.166044 (E_RNA)
where:
Base-Base interactions energy: -193.536
where: short stacking energy: -83.773
Base-Backbone interact. energy: -0.048
local terms energy: -105.581930
where:
bonds (distance) C4'-P energy: -22.244
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -20.457
flat angles P-C4'-P energy: -16.360
tors. eta vs tors. theta energy: -25.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -259.900440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.900440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.900440 (E_RNA)
where:
Base-Base interactions energy: -169.188
where: short stacking energy: -86.015
Base-Backbone interact. energy: -0.433
local terms energy: -90.280385
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -265.179759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.179759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.179759 (E_RNA)
where:
Base-Base interactions energy: -168.818
where: short stacking energy: -70.700
Base-Backbone interact. energy: -0.948
local terms energy: -95.413103
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -215.281676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.281676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.281676 (E_RNA)
where:
Base-Base interactions energy: -131.154
where: short stacking energy: -61.041
Base-Backbone interact. energy: -1.882
local terms energy: -82.245049
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -145.604774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.604774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.604774 (E_RNA)
where:
Base-Base interactions energy: -70.808
where: short stacking energy: -44.486
Base-Backbone interact. energy: -0.343
local terms energy: -74.453754
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -144.251518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.251518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.251518 (E_RNA)
where:
Base-Base interactions energy: -75.759
where: short stacking energy: -43.487
Base-Backbone interact. energy: 1.037
local terms energy: -69.529174
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -11.919
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: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -121.743517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.743517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.743517 (E_RNA)
where:
Base-Base interactions energy: -48.975
where: short stacking energy: -42.306
Base-Backbone interact. energy: -0.231
local terms energy: -72.537714
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -9.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -138.499818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.499818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.499818 (E_RNA)
where:
Base-Base interactions energy: -76.656
where: short stacking energy: -46.153
Base-Backbone interact. energy: -0.699
local terms energy: -61.144649
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -7.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -98.957901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.957901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.957901 (E_RNA)
where:
Base-Base interactions energy: -42.636
where: short stacking energy: -24.992
Base-Backbone interact. energy: 0.598
local terms energy: -56.920242
where:
bonds (distance) C4'-P energy: -9.190
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -0.652
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -301.920152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.920152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.920152 (E_RNA)
where:
Base-Base interactions energy: -196.114
where: short stacking energy: -91.783
Base-Backbone interact. energy: -0.365
local terms energy: -105.441059
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -22.829
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -26.310
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: 2, replica: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -301.937535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.937535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.937535 (E_RNA)
where:
Base-Base interactions energy: -206.960
where: short stacking energy: -94.947
Base-Backbone interact. energy: -0.122
local terms energy: -94.855028
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -21.346
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: 3, replica: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -289.663634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.663634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.663634 (E_RNA)
where:
Base-Base interactions energy: -199.836
where: short stacking energy: -77.357
Base-Backbone interact. energy: -1.620
local terms energy: -88.207877
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -22.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -254.370703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.370703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.370703 (E_RNA)
where:
Base-Base interactions energy: -167.783
where: short stacking energy: -80.637
Base-Backbone interact. energy: -0.316
local terms energy: -86.272192
where:
bonds (distance) C4'-P energy: -22.691
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -9.645
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: 5, replica: 2
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -214.522679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.522679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.522679 (E_RNA)
where:
Base-Base interactions energy: -125.894
where: short stacking energy: -70.554
Base-Backbone interact. energy: -2.281
local terms energy: -86.348239
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -16.341
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -20.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -144.361403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.361403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.361403 (E_RNA)
where:
Base-Base interactions energy: -75.998
where: short stacking energy: -53.472
Base-Backbone interact. energy: -0.134
local terms energy: -68.229472
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -141.097134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.097134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.097134 (E_RNA)
where:
Base-Base interactions energy: -70.816
where: short stacking energy: -58.216
Base-Backbone interact. energy: -0.860
local terms energy: -69.421385
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -12.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -118.343383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.343383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.343383 (E_RNA)
where:
Base-Base interactions energy: -49.186
where: short stacking energy: -39.833
Base-Backbone interact. energy: -0.619
local terms energy: -68.538593
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -4.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -102.583645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.583645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.583645 (E_RNA)
where:
Base-Base interactions energy: -34.995
where: short stacking energy: -34.487
Base-Backbone interact. energy: -0.097
local terms energy: -67.491181
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -22.566
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -115.319302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.319302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.319302 (E_RNA)
where:
Base-Base interactions energy: -56.047
where: short stacking energy: -37.935
Base-Backbone interact. energy: 0.242
local terms energy: -59.514465
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -0.698
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -295.488967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.488967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.488967 (E_RNA)
where:
Base-Base interactions energy: -196.624
where: short stacking energy: -94.730
Base-Backbone interact. energy: -0.746
local terms energy: -98.119036
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -17.133
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -308.266887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.266887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.266887 (E_RNA)
where:
Base-Base interactions energy: -214.548
where: short stacking energy: -87.927
Base-Backbone interact. energy: -0.759
local terms energy: -92.959836
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -19.596
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -26.062
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: 6
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -292.142275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.142275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.142275 (E_RNA)
where:
Base-Base interactions energy: -196.123
where: short stacking energy: -93.432
Base-Backbone interact. energy: -0.422
local terms energy: -95.597291
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -25.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -252.203168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.203168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.203168 (E_RNA)
where:
Base-Base interactions energy: -157.206
where: short stacking energy: -73.840
Base-Backbone interact. energy: -0.327
local terms energy: -94.669295
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -19.355
tors. eta vs tors. theta energy: -21.793
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: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -214.734283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.734283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.734283 (E_RNA)
where:
Base-Base interactions energy: -124.412
where: short stacking energy: -66.337
Base-Backbone interact. energy: -0.758
local terms energy: -89.563917
where:
bonds (distance) C4'-P energy: -19.620
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -21.974
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -13.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -147.091492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.091492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.091492 (E_RNA)
where:
Base-Base interactions energy: -70.560
where: short stacking energy: -59.331
Base-Backbone interact. energy: -0.316
local terms energy: -76.215058
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -8.383
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: 7, replica: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -124.791058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.791058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.791058 (E_RNA)
where:
Base-Base interactions energy: -56.209
where: short stacking energy: -41.872
Base-Backbone interact. energy: -0.159
local terms energy: -68.423433
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: 0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -118.836442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.836442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.836442 (E_RNA)
where:
Base-Base interactions energy: -47.427
where: short stacking energy: -35.080
Base-Backbone interact. energy: -0.397
local terms energy: -71.012639
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -100.546342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.546342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.546342 (E_RNA)
where:
Base-Base interactions energy: -36.712
where: short stacking energy: -34.627
Base-Backbone interact. energy: 0.099
local terms energy: -63.933108
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -105.107525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.107525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.107525 (E_RNA)
where:
Base-Base interactions energy: -34.635
where: short stacking energy: -32.180
Base-Backbone interact. energy: -0.448
local terms energy: -70.024344
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -21.801
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -10.988
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -308.990614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.990614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.990614 (E_RNA)
where:
Base-Base interactions energy: -210.445
where: short stacking energy: -90.936
Base-Backbone interact. energy: -0.976
local terms energy: -97.569801
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -21.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -290.095065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.095065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.095065 (E_RNA)
where:
Base-Base interactions energy: -194.966
where: short stacking energy: -81.709
Base-Backbone interact. energy: -0.133
local terms energy: -94.995949
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -22.534
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -20.950
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: 3, replica: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -273.774347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.774347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.774347 (E_RNA)
where:
Base-Base interactions energy: -176.161
where: short stacking energy: -82.737
Base-Backbone interact. energy: -0.006
local terms energy: -97.607633
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -24.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -246.412935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.412935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.412935 (E_RNA)
where:
Base-Base interactions energy: -157.859
where: short stacking energy: -79.001
Base-Backbone interact. energy: -0.356
local terms energy: -88.198367
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -18.254
flat angles C4'-P-C4' energy: -19.563
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -190.477262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.477262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.477262 (E_RNA)
where:
Base-Base interactions energy: -107.013
where: short stacking energy: -63.744
Base-Backbone interact. energy: -0.125
local terms energy: -83.339069
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: -14.242
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: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -131.908324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.908324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.908324 (E_RNA)
where:
Base-Base interactions energy: -62.460
where: short stacking energy: -38.980
Base-Backbone interact. energy: -0.276
local terms energy: -69.172401
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -4.804
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -122.681852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.681852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.681852 (E_RNA)
where:
Base-Base interactions energy: -56.047
where: short stacking energy: -54.116
Base-Backbone interact. energy: -0.239
local terms energy: -66.395844
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -11.915
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: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -118.113901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.113901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.113901 (E_RNA)
where:
Base-Base interactions energy: -57.680
where: short stacking energy: -45.974
Base-Backbone interact. energy: -0.308
local terms energy: -60.126351
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -129.134795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.134795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.134795 (E_RNA)
where:
Base-Base interactions energy: -57.522
where: short stacking energy: -53.637
Base-Backbone interact. energy: -0.023
local terms energy: -71.589798
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -8.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -93.703098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.703098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.703098 (E_RNA)
where:
Base-Base interactions energy: -23.243
where: short stacking energy: -19.427
Base-Backbone interact. energy: -0.556
local terms energy: -69.904275
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: 2.238
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -306.874810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.874810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.874810 (E_RNA)
where:
Base-Base interactions energy: -206.462
where: short stacking energy: -98.804
Base-Backbone interact. energy: -0.135
local terms energy: -100.277805
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -29.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -289.700213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.700213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.700213 (E_RNA)
where:
Base-Base interactions energy: -186.215
where: short stacking energy: -87.862
Base-Backbone interact. energy: -0.093
local terms energy: -103.392911
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -25.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -270.606384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.606384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.606384 (E_RNA)
where:
Base-Base interactions energy: -172.333
where: short stacking energy: -72.637
Base-Backbone interact. energy: -0.498
local terms energy: -97.775659
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -21.192
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: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -286.156893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.156893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.156893 (E_RNA)
where:
Base-Base interactions energy: -198.038
where: short stacking energy: -88.476
Base-Backbone interact. energy: -0.655
local terms energy: -87.463611
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -22.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -199.987164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.987164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.987164 (E_RNA)
where:
Base-Base interactions energy: -114.709
where: short stacking energy: -72.825
Base-Backbone interact. energy: -0.145
local terms energy: -85.133598
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -18.559
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: 6, replica: 7
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -134.308784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.308784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.308784 (E_RNA)
where:
Base-Base interactions energy: -72.508
where: short stacking energy: -39.310
Base-Backbone interact. energy: 1.417
local terms energy: -63.218030
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -131.212132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.212132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.212132 (E_RNA)
where:
Base-Base interactions energy: -58.020
where: short stacking energy: -52.377
Base-Backbone interact. energy: 0.189
local terms energy: -73.381275
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -8.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -112.901552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.901552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.901552 (E_RNA)
where:
Base-Base interactions energy: -47.419
where: short stacking energy: -43.399
Base-Backbone interact. energy: -0.301
local terms energy: -65.182072
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -124.031677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.031677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.031677 (E_RNA)
where:
Base-Base interactions energy: -57.841
where: short stacking energy: -38.279
Base-Backbone interact. energy: 1.362
local terms energy: -67.552671
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -93.564087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.564087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.564087 (E_RNA)
where:
Base-Base interactions energy: -25.737
where: short stacking energy: -21.914
Base-Backbone interact. energy: -0.755
local terms energy: -67.072169
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: 1.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -303.899289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.899289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.899289 (E_RNA)
where:
Base-Base interactions energy: -203.726
where: short stacking energy: -93.755
Base-Backbone interact. energy: -0.540
local terms energy: -99.633803
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -23.235
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -26.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -271.081320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.081320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.081320 (E_RNA)
where:
Base-Base interactions energy: -182.188
where: short stacking energy: -73.587
Base-Backbone interact. energy: 0.352
local terms energy: -89.245244
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -301.089117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.089117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.089117 (E_RNA)
where:
Base-Base interactions energy: -193.076
where: short stacking energy: -84.627
Base-Backbone interact. energy: -0.810
local terms energy: -107.203429
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -27.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -248.766060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.766060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.766060 (E_RNA)
where:
Base-Base interactions energy: -159.738
where: short stacking energy: -79.222
Base-Backbone interact. energy: -1.162
local terms energy: -87.865671
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -19.108
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -18.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -214.437448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.437448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.437448 (E_RNA)
where:
Base-Base interactions energy: -120.075
where: short stacking energy: -76.572
Base-Backbone interact. energy: -0.308
local terms energy: -94.054666
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -21.706
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: 7
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -199.330042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.330042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.330042 (E_RNA)
where:
Base-Base interactions energy: -132.514
where: short stacking energy: -62.197
Base-Backbone interact. energy: -0.285
local terms energy: -66.531119
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -9.942
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: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -121.887467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.887467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.887467 (E_RNA)
where:
Base-Base interactions energy: -62.081
where: short stacking energy: -52.205
Base-Backbone interact. energy: 0.557
local terms energy: -60.364086
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -8.517
flat angles P-C4'-P energy: -12.339
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: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -110.781623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.781623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.781623 (E_RNA)
where:
Base-Base interactions energy: -55.606
where: short stacking energy: -45.209
Base-Backbone interact. energy: -0.520
local terms energy: -54.655715
where:
bonds (distance) C4'-P energy: -6.048
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -103.758271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.758271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.758271 (E_RNA)
where:
Base-Base interactions energy: -37.082
where: short stacking energy: -35.791
Base-Backbone interact. energy: -0.461
local terms energy: -66.215575
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -105.506462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.506462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.506462 (E_RNA)
where:
Base-Base interactions energy: -31.227
where: short stacking energy: -31.675
Base-Backbone interact. energy: 0.276
local terms energy: -74.555154
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -7.755
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -306.842428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.842428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.842428 (E_RNA)
where:
Base-Base interactions energy: -203.120
where: short stacking energy: -84.194
Base-Backbone interact. energy: 0.084
local terms energy: -103.806465
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -24.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -295.370719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.370719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.370719 (E_RNA)
where:
Base-Base interactions energy: -196.325
where: short stacking energy: -91.838
Base-Backbone interact. energy: -1.273
local terms energy: -97.773133
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -23.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -289.650596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.650596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.650596 (E_RNA)
where:
Base-Base interactions energy: -193.316
where: short stacking energy: -92.957
Base-Backbone interact. energy: 0.265
local terms energy: -96.600444
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -17.700
tors. eta vs tors. theta energy: -23.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -260.075467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.075467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.075467 (E_RNA)
where:
Base-Base interactions energy: -176.738
where: short stacking energy: -82.033
Base-Backbone interact. energy: -0.256
local terms energy: -83.081812
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -202.224347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.224347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.224347 (E_RNA)
where:
Base-Base interactions energy: -115.443
where: short stacking energy: -64.997
Base-Backbone interact. energy: -0.602
local terms energy: -86.178919
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -15.773
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: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -129.377159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.377159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.377159 (E_RNA)
where:
Base-Base interactions energy: -50.158
where: short stacking energy: -48.491
Base-Backbone interact. energy: 0.492
local terms energy: -79.711848
where:
bonds (distance) C4'-P energy: -22.641
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -9.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -129.662528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.662528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.662528 (E_RNA)
where:
Base-Base interactions energy: -69.981
where: short stacking energy: -34.584
Base-Backbone interact. energy: -1.270
local terms energy: -58.411145
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -3.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -109.211160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.211160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.211160 (E_RNA)
where:
Base-Base interactions energy: -42.127
where: short stacking energy: -42.044
Base-Backbone interact. energy: -0.176
local terms energy: -66.908505
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -10.871
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: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -102.013003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.013003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.013003 (E_RNA)
where:
Base-Base interactions energy: -43.808
where: short stacking energy: -29.053
Base-Backbone interact. energy: 0.316
local terms energy: -58.521491
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -19.140
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: 1.810
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: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -108.980422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.980422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.980422 (E_RNA)
where:
Base-Base interactions energy: -50.531
where: short stacking energy: -45.662
Base-Backbone interact. energy: -0.624
local terms energy: -57.825169
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -13.049
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -309.967006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.967006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.967006 (E_RNA)
where:
Base-Base interactions energy: -202.728
where: short stacking energy: -96.869
Base-Backbone interact. energy: -0.361
local terms energy: -106.878817
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -22.867
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -27.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -300.321950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.321950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.321950 (E_RNA)
where:
Base-Base interactions energy: -207.389
where: short stacking energy: -85.835
Base-Backbone interact. energy: -0.298
local terms energy: -92.635580
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -21.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -270.274105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.274105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.274105 (E_RNA)
where:
Base-Base interactions energy: -174.724
where: short stacking energy: -89.296
Base-Backbone interact. energy: -0.519
local terms energy: -95.031183
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -22.926
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -20.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -261.063877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.063877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.063877 (E_RNA)
where:
Base-Base interactions energy: -170.701
where: short stacking energy: -79.523
Base-Backbone interact. energy: -2.967
local terms energy: -87.395622
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -19.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -179.011316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.011316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.011316 (E_RNA)
where:
Base-Base interactions energy: -99.604
where: short stacking energy: -61.794
Base-Backbone interact. energy: -0.905
local terms energy: -78.502586
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -15.165
tors. eta vs tors. theta energy: -11.081
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: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -179.706384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.706384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.706384 (E_RNA)
where:
Base-Base interactions energy: -106.131
where: short stacking energy: -61.252
Base-Backbone interact. energy: -0.315
local terms energy: -73.260050
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -5.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -158.015726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.015726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.015726 (E_RNA)
where:
Base-Base interactions energy: -85.688
where: short stacking energy: -49.345
Base-Backbone interact. energy: 0.598
local terms energy: -72.926003
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: -9.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -114.441169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.441169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.441169 (E_RNA)
where:
Base-Base interactions energy: -48.728
where: short stacking energy: -42.569
Base-Backbone interact. energy: -0.051
local terms energy: -65.662359
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -11.737
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: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -105.059314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.059314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.059314 (E_RNA)
where:
Base-Base interactions energy: -43.523
where: short stacking energy: -28.464
Base-Backbone interact. energy: -0.346
local terms energy: -61.190307
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: 6.427
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: 458
Temperature: 1.350000
Total energy: -115.084174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.084174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.084174 (E_RNA)
where:
Base-Base interactions energy: -57.847
where: short stacking energy: -37.735
Base-Backbone interact. energy: -0.677
local terms energy: -56.560401
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -299.945614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.945614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.945614 (E_RNA)
where:
Base-Base interactions energy: -199.146
where: short stacking energy: -88.977
Base-Backbone interact. energy: -0.747
local terms energy: -100.052508
where:
bonds (distance) C4'-P energy: -20.815
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -22.510
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: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -305.985993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.985993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.985993 (E_RNA)
where:
Base-Base interactions energy: -199.750
where: short stacking energy: -89.901
Base-Backbone interact. energy: -0.161
local terms energy: -106.075183
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -22.962
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -26.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -279.069176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.069176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.069176 (E_RNA)
where:
Base-Base interactions energy: -177.190
where: short stacking energy: -85.939
Base-Backbone interact. energy: 0.176
local terms energy: -102.056136
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -26.327
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: 459
Temperature: 1.050000
Total energy: -270.125254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.125254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.125254 (E_RNA)
where:
Base-Base interactions energy: -164.789
where: short stacking energy: -82.181
Base-Backbone interact. energy: -0.043
local terms energy: -105.293326
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -23.697
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -22.379
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: 2
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -193.259397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.259397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.259397 (E_RNA)
where:
Base-Base interactions energy: -106.602
where: short stacking energy: -60.883
Base-Backbone interact. energy: 0.486
local terms energy: -87.142879
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -23.945
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -11.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -176.890342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.890342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.890342 (E_RNA)
where:
Base-Base interactions energy: -100.618
where: short stacking energy: -63.032
Base-Backbone interact. energy: -0.116
local terms energy: -76.156938
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -14.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -167.998750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.998750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.998750 (E_RNA)
where:
Base-Base interactions energy: -89.862
where: short stacking energy: -48.911
Base-Backbone interact. energy: -0.222
local terms energy: -77.914778
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -10.908
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: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -112.451168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.451168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.451168 (E_RNA)
where:
Base-Base interactions energy: -48.536
where: short stacking energy: -38.483
Base-Backbone interact. energy: -1.291
local terms energy: -62.624952
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -1.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -108.188760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.188760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.188760 (E_RNA)
where:
Base-Base interactions energy: -34.184
where: short stacking energy: -34.184
Base-Backbone interact. energy: -0.247
local terms energy: -73.758115
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -4.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -104.641566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.641566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.641566 (E_RNA)
where:
Base-Base interactions energy: -39.310
where: short stacking energy: -37.989
Base-Backbone interact. energy: -0.886
local terms energy: -64.445570
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -300.785450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.785450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.785450 (E_RNA)
where:
Base-Base interactions energy: -199.177
where: short stacking energy: -97.538
Base-Backbone interact. energy: -0.287
local terms energy: -101.321642
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -23.401
flat angles C4'-P-C4' energy: -22.799
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -23.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -290.427663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.427663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.427663 (E_RNA)
where:
Base-Base interactions energy: -190.572
where: short stacking energy: -87.142
Base-Backbone interact. energy: -0.851
local terms energy: -99.004554
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -24.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -276.269753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.269753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.269753 (E_RNA)
where:
Base-Base interactions energy: -182.740
where: short stacking energy: -91.575
Base-Backbone interact. energy: 1.795
local terms energy: -95.325290
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -268.780535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.780535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.780535 (E_RNA)
where:
Base-Base interactions energy: -177.758
where: short stacking energy: -88.743
Base-Backbone interact. energy: 2.132
local terms energy: -93.154532
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -23.108
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: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -220.548267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.548267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.548267 (E_RNA)
where:
Base-Base interactions energy: -133.237
where: short stacking energy: -66.652
Base-Backbone interact. energy: -0.031
local terms energy: -87.280467
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -22.228
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: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -139.150622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.150622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.150622 (E_RNA)
where:
Base-Base interactions energy: -62.966
where: short stacking energy: -56.688
Base-Backbone interact. energy: 0.153
local terms energy: -76.337353
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -25.355
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -130.749272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.749272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.749272 (E_RNA)
where:
Base-Base interactions energy: -63.281
where: short stacking energy: -33.093
Base-Backbone interact. energy: -0.075
local terms energy: -67.392714
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -119.884976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.884976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.884976 (E_RNA)
where:
Base-Base interactions energy: -52.058
where: short stacking energy: -30.386
Base-Backbone interact. energy: 1.104
local terms energy: -68.931762
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -119.771006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.771006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.771006 (E_RNA)
where:
Base-Base interactions energy: -52.042
where: short stacking energy: -45.071
Base-Backbone interact. energy: -0.040
local terms energy: -67.689484
where:
bonds (distance) C4'-P energy: -16.753
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -5.059
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: 460
Temperature: 1.350000
Total energy: -98.850426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.850426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.850426 (E_RNA)
where:
Base-Base interactions energy: -41.203
where: short stacking energy: -37.197
Base-Backbone interact. energy: -0.868
local terms energy: -56.778691
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -1.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -301.757301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.757301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.757301 (E_RNA)
where:
Base-Base interactions energy: -200.904
where: short stacking energy: -97.935
Base-Backbone interact. energy: 0.509
local terms energy: -101.362912
where:
bonds (distance) C4'-P energy: -20.034
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -22.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -289.167811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.167811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.167811 (E_RNA)
where:
Base-Base interactions energy: -191.354
where: short stacking energy: -88.516
Base-Backbone interact. energy: -0.177
local terms energy: -97.636806
where:
bonds (distance) C4'-P energy: -21.229
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -21.094
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: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -254.608448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.608448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.608448 (E_RNA)
where:
Base-Base interactions energy: -161.704
where: short stacking energy: -78.922
Base-Backbone interact. energy: 0.398
local terms energy: -93.302597
where:
bonds (distance) C4'-P energy: -20.146
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -19.545
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: 461
Temperature: 1.050000
Total energy: -277.533718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.533718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.533718 (E_RNA)
where:
Base-Base interactions energy: -174.719
where: short stacking energy: -78.955
Base-Backbone interact. energy: -0.645
local terms energy: -102.169828
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -21.660
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -17.569
tors. eta vs tors. theta energy: -21.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -196.904348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.904348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.904348 (E_RNA)
where:
Base-Base interactions energy: -106.949
where: short stacking energy: -50.063
Base-Backbone interact. energy: -1.499
local terms energy: -88.456198
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -21.760
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -126.817766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.817766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.817766 (E_RNA)
where:
Base-Base interactions energy: -46.144
where: short stacking energy: -43.043
Base-Backbone interact. energy: -1.950
local terms energy: -78.724352
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -164.192510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.192510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.192510 (E_RNA)
where:
Base-Base interactions energy: -93.735
where: short stacking energy: -38.709
Base-Backbone interact. energy: -0.135
local terms energy: -70.322848
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -15.671
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: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -113.381808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.381808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.381808 (E_RNA)
where:
Base-Base interactions energy: -40.517
where: short stacking energy: -38.118
Base-Backbone interact. energy: -0.124
local terms energy: -72.741267
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -7.170
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: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -114.268285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.268285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.268285 (E_RNA)
where:
Base-Base interactions energy: -47.586
where: short stacking energy: -31.733
Base-Backbone interact. energy: -0.910
local terms energy: -65.772664
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -0.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -106.186373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.186373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.186373 (E_RNA)
where:
Base-Base interactions energy: -36.957
where: short stacking energy: -27.724
Base-Backbone interact. energy: -0.203
local terms energy: -69.026307
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -0.544
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -298.801039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.801039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.801039 (E_RNA)
where:
Base-Base interactions energy: -189.094
where: short stacking energy: -85.426
Base-Backbone interact. energy: -2.332
local terms energy: -107.375069
where:
bonds (distance) C4'-P energy: -22.728
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -25.245
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -25.707
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: 9
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -296.428297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.428297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.428297 (E_RNA)
where:
Base-Base interactions energy: -196.614
where: short stacking energy: -92.331
Base-Backbone interact. energy: -1.367
local terms energy: -98.447442
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -24.369
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: 3
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -273.335460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.335460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.335460 (E_RNA)
where:
Base-Base interactions energy: -176.569
where: short stacking energy: -74.586
Base-Backbone interact. energy: -0.554
local terms energy: -96.211954
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: -23.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -269.502789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.502789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.502789 (E_RNA)
where:
Base-Base interactions energy: -175.309
where: short stacking energy: -79.811
Base-Backbone interact. energy: -1.661
local terms energy: -92.532308
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -20.385
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: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -206.619088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.619088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.619088 (E_RNA)
where:
Base-Base interactions energy: -120.163
where: short stacking energy: -74.557
Base-Backbone interact. energy: -0.535
local terms energy: -85.920996
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -130.665321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.665321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.665321 (E_RNA)
where:
Base-Base interactions energy: -58.752
where: short stacking energy: -50.713
Base-Backbone interact. energy: -0.119
local terms energy: -71.794530
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -8.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -119.278274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.278274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.278274 (E_RNA)
where:
Base-Base interactions energy: -58.991
where: short stacking energy: -41.768
Base-Backbone interact. energy: -0.381
local terms energy: -59.906735
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -10.024
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: 10
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -117.084437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.084437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.084437 (E_RNA)
where:
Base-Base interactions energy: -42.762
where: short stacking energy: -41.934
Base-Backbone interact. energy: 0.834
local terms energy: -75.156867
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -111.636384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.636384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.636384 (E_RNA)
where:
Base-Base interactions energy: -43.395
where: short stacking energy: -42.882
Base-Backbone interact. energy: -0.042
local terms energy: -68.198829
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -10.802
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: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -91.002484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.002484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.002484 (E_RNA)
where:
Base-Base interactions energy: -28.480
where: short stacking energy: -22.279
Base-Backbone interact. energy: 0.301
local terms energy: -62.823227
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: 2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -310.126935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.126935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.126935 (E_RNA)
where:
Base-Base interactions energy: -208.759
where: short stacking energy: -94.330
Base-Backbone interact. energy: -0.033
local terms energy: -101.334757
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -27.263
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: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -293.016310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.016310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.016310 (E_RNA)
where:
Base-Base interactions energy: -204.076
where: short stacking energy: -93.815
Base-Backbone interact. energy: 1.241
local terms energy: -90.181194
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -276.526464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.526464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.526464 (E_RNA)
where:
Base-Base interactions energy: -180.257
where: short stacking energy: -80.384
Base-Backbone interact. energy: -0.187
local terms energy: -96.081492
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -16.483
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: 4, replica: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -276.983820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.983820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.983820 (E_RNA)
where:
Base-Base interactions energy: -181.040
where: short stacking energy: -78.433
Base-Backbone interact. energy: -0.473
local terms energy: -95.471356
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -22.655
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -23.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -203.748335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.748335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.748335 (E_RNA)
where:
Base-Base interactions energy: -116.304
where: short stacking energy: -71.963
Base-Backbone interact. energy: -0.439
local terms energy: -87.005171
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -15.739
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: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -131.022243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.022243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.022243 (E_RNA)
where:
Base-Base interactions energy: -59.642
where: short stacking energy: -45.779
Base-Backbone interact. energy: 0.280
local terms energy: -71.660678
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -6.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -122.881096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.881096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.881096 (E_RNA)
where:
Base-Base interactions energy: -50.296
where: short stacking energy: -40.899
Base-Backbone interact. energy: 0.845
local terms energy: -73.429439
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -20.068
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -11.069
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: 8, replica: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -101.889885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.889885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.889885 (E_RNA)
where:
Base-Base interactions energy: -33.377
where: short stacking energy: -24.313
Base-Backbone interact. energy: -0.074
local terms energy: -68.438810
where:
bonds (distance) C4'-P energy: -17.950
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -104.001425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.001425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.001425 (E_RNA)
where:
Base-Base interactions energy: -33.331
where: short stacking energy: -33.331
Base-Backbone interact. energy: -0.884
local terms energy: -69.786713
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -93.643624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.643624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.643624 (E_RNA)
where:
Base-Base interactions energy: -32.587
where: short stacking energy: -32.587
Base-Backbone interact. energy: -0.151
local terms energy: -60.906334
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -302.758191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.758191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.758191 (E_RNA)
where:
Base-Base interactions energy: -197.734
where: short stacking energy: -92.784
Base-Backbone interact. energy: -0.789
local terms energy: -104.235403
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -27.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -303.866876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.866876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.866876 (E_RNA)
where:
Base-Base interactions energy: -205.800
where: short stacking energy: -91.501
Base-Backbone interact. energy: -0.607
local terms energy: -97.459904
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -21.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -272.967409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.967409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.967409 (E_RNA)
where:
Base-Base interactions energy: -177.338
where: short stacking energy: -92.739
Base-Backbone interact. energy: -0.002
local terms energy: -95.627019
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -19.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -261.344805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.344805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.344805 (E_RNA)
where:
Base-Base interactions energy: -171.459
where: short stacking energy: -77.986
Base-Backbone interact. energy: -0.709
local terms energy: -89.176792
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -163.920966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.920966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.920966 (E_RNA)
where:
Base-Base interactions energy: -81.866
where: short stacking energy: -59.842
Base-Backbone interact. energy: 1.160
local terms energy: -83.214754
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -13.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -202.820905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.820905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.820905 (E_RNA)
where:
Base-Base interactions energy: -112.343
where: short stacking energy: -69.200
Base-Backbone interact. energy: -1.200
local terms energy: -89.278061
where:
bonds (distance) C4'-P energy: -21.181
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -15.176
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: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -128.577328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.577328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.577328 (E_RNA)
where:
Base-Base interactions energy: -52.911
where: short stacking energy: -52.911
Base-Backbone interact. energy: -0.697
local terms energy: -74.969663
where:
bonds (distance) C4'-P energy: -21.469
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -9.525
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -9.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -108.911453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.911453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.911453 (E_RNA)
where:
Base-Base interactions energy: -49.964
where: short stacking energy: -34.232
Base-Backbone interact. energy: 0.360
local terms energy: -59.307633
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -124.927105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.927105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.927105 (E_RNA)
where:
Base-Base interactions energy: -58.846
where: short stacking energy: -31.740
Base-Backbone interact. energy: -0.417
local terms energy: -65.664409
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -5.946
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -92.920624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.920624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.920624 (E_RNA)
where:
Base-Base interactions energy: -26.912
where: short stacking energy: -20.879
Base-Backbone interact. energy: 0.032
local terms energy: -66.040839
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: 0.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -304.848785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.848785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.848785 (E_RNA)
where:
Base-Base interactions energy: -197.223
where: short stacking energy: -93.619
Base-Backbone interact. energy: -1.360
local terms energy: -106.265367
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -24.264
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -25.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -309.008990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.008990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.008990 (E_RNA)
where:
Base-Base interactions energy: -201.985
where: short stacking energy: -96.000
Base-Backbone interact. energy: -1.236
local terms energy: -105.788013
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -22.931
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -17.973
tors. eta vs tors. theta energy: -28.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -279.281523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.281523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.281523 (E_RNA)
where:
Base-Base interactions energy: -183.322
where: short stacking energy: -87.589
Base-Backbone interact. energy: -0.623
local terms energy: -95.336420
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -264.255155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.255155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.255155 (E_RNA)
where:
Base-Base interactions energy: -173.201
where: short stacking energy: -87.700
Base-Backbone interact. energy: -1.603
local terms energy: -89.450875
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -20.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -150.961756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.961756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.961756 (E_RNA)
where:
Base-Base interactions energy: -69.315
where: short stacking energy: -52.046
Base-Backbone interact. energy: -0.029
local terms energy: -81.618402
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -21.009
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -10.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -192.321238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.321238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.321238 (E_RNA)
where:
Base-Base interactions energy: -107.985
where: short stacking energy: -62.755
Base-Backbone interact. energy: -0.374
local terms energy: -83.962441
where:
bonds (distance) C4'-P energy: -22.542
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -11.182
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: 7, replica: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -126.851968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.851968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.851968 (E_RNA)
where:
Base-Base interactions energy: -50.713
where: short stacking energy: -48.457
Base-Backbone interact. energy: 0.092
local terms energy: -76.230352
where:
bonds (distance) C4'-P energy: -24.272
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -10.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -109.563667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.563667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.563667 (E_RNA)
where:
Base-Base interactions energy: -36.175
where: short stacking energy: -32.959
Base-Backbone interact. energy: -0.220
local terms energy: -73.168803
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -0.396
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: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -109.729846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.729846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.729846 (E_RNA)
where:
Base-Base interactions energy: -48.838
where: short stacking energy: -33.082
Base-Backbone interact. energy: -0.157
local terms energy: -60.735378
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -3.102
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: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -100.296534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.296534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.296534 (E_RNA)
where:
Base-Base interactions energy: -35.203
where: short stacking energy: -34.445
Base-Backbone interact. energy: -0.895
local terms energy: -64.198361
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: 0.756
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -305.255141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.255141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.255141 (E_RNA)
where:
Base-Base interactions energy: -200.593
where: short stacking energy: -96.857
Base-Backbone interact. energy: -0.984
local terms energy: -103.678064
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -21.710
flat angles P-C4'-P energy: -17.145
tors. eta vs tors. theta energy: -26.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -294.670789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.670789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.670789 (E_RNA)
where:
Base-Base interactions energy: -200.721
where: short stacking energy: -90.501
Base-Backbone interact. energy: -0.364
local terms energy: -93.586345
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -264.691580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.691580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.691580 (E_RNA)
where:
Base-Base interactions energy: -175.559
where: short stacking energy: -70.146
Base-Backbone interact. energy: -1.128
local terms energy: -88.004765
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -21.474
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -16.707
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: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -273.923310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.923310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.923310 (E_RNA)
where:
Base-Base interactions energy: -183.473
where: short stacking energy: -83.290
Base-Backbone interact. energy: -0.005
local terms energy: -90.445349
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -20.255
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -23.163
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: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -191.903392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.903392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.903392 (E_RNA)
where:
Base-Base interactions energy: -114.167
where: short stacking energy: -67.008
Base-Backbone interact. energy: 0.489
local terms energy: -78.225738
where:
bonds (distance) C4'-P energy: -19.160
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -115.676653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.676653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.676653 (E_RNA)
where:
Base-Base interactions energy: -49.382
where: short stacking energy: -37.873
Base-Backbone interact. energy: 0.017
local terms energy: -66.311065
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -112.855393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.855393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.855393 (E_RNA)
where:
Base-Base interactions energy: -49.540
where: short stacking energy: -47.683
Base-Backbone interact. energy: -0.202
local terms energy: -63.113429
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -116.189654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.189654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.189654 (E_RNA)
where:
Base-Base interactions energy: -51.264
where: short stacking energy: -51.334
Base-Backbone interact. energy: 1.349
local terms energy: -66.274984
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -15.475
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: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -102.422007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.422007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.422007 (E_RNA)
where:
Base-Base interactions energy: -39.165
where: short stacking energy: -26.052
Base-Backbone interact. energy: -0.194
local terms energy: -63.062620
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: 1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -112.689442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.689442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.689442 (E_RNA)
where:
Base-Base interactions energy: -55.092
where: short stacking energy: -35.895
Base-Backbone interact. energy: -0.774
local terms energy: -56.823478
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -19.373
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -0.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -300.534584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.534584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.534584 (E_RNA)
where:
Base-Base interactions energy: -198.837
where: short stacking energy: -91.122
Base-Backbone interact. energy: 0.871
local terms energy: -102.568715
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -22.116
flat angles P-C4'-P energy: -18.826
tors. eta vs tors. theta energy: -21.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -295.588501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.588501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.588501 (E_RNA)
where:
Base-Base interactions energy: -196.847
where: short stacking energy: -89.842
Base-Backbone interact. energy: -0.183
local terms energy: -98.558538
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -22.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -268.552730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.552730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.552730 (E_RNA)
where:
Base-Base interactions energy: -174.183
where: short stacking energy: -85.681
Base-Backbone interact. energy: -0.719
local terms energy: -93.650083
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -21.409
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -14.968
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: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -276.070979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.070979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.070979 (E_RNA)
where:
Base-Base interactions energy: -185.025
where: short stacking energy: -82.849
Base-Backbone interact. energy: -0.171
local terms energy: -90.875170
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -19.248
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: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -209.748591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.748591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.748591 (E_RNA)
where:
Base-Base interactions energy: -115.632
where: short stacking energy: -60.543
Base-Backbone interact. energy: -0.188
local terms energy: -93.929044
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -20.119
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -18.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -130.495173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.495173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.495173 (E_RNA)
where:
Base-Base interactions energy: -62.197
where: short stacking energy: -46.880
Base-Backbone interact. energy: -0.274
local terms energy: -68.024096
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -5.288
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: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -116.631642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.631642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.631642 (E_RNA)
where:
Base-Base interactions energy: -42.216
where: short stacking energy: -36.290
Base-Backbone interact. energy: -2.560
local terms energy: -71.855390
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -4.192
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: 467
Temperature: 1.250000
Total energy: -133.989754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.989754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.989754 (E_RNA)
where:
Base-Base interactions energy: -70.086
where: short stacking energy: -47.681
Base-Backbone interact. energy: -1.029
local terms energy: -62.875468
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -6.336
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -99.622524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.622524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.622524 (E_RNA)
where:
Base-Base interactions energy: -42.468
where: short stacking energy: -34.007
Base-Backbone interact. energy: -0.492
local terms energy: -56.662387
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -112.297130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.297130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.297130 (E_RNA)
where:
Base-Base interactions energy: -44.808
where: short stacking energy: -43.326
Base-Backbone interact. energy: -0.374
local terms energy: -67.114537
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -9.863
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -303.344083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.344083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.344083 (E_RNA)
where:
Base-Base interactions energy: -201.664
where: short stacking energy: -94.535
Base-Backbone interact. energy: -0.309
local terms energy: -101.371204
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -26.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -288.060103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.060103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.060103 (E_RNA)
where:
Base-Base interactions energy: -189.935
where: short stacking energy: -87.188
Base-Backbone interact. energy: -1.154
local terms energy: -96.970939
where:
bonds (distance) C4'-P energy: -20.232
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -22.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -264.868940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.868940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.868940 (E_RNA)
where:
Base-Base interactions energy: -176.584
where: short stacking energy: -83.799
Base-Backbone interact. energy: -0.107
local terms energy: -88.177509
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -19.221
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: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -261.505214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.505214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.505214 (E_RNA)
where:
Base-Base interactions energy: -171.204
where: short stacking energy: -67.286
Base-Backbone interact. energy: -0.285
local terms energy: -90.015686
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -23.043
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -21.307
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: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -210.498877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.498877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.498877 (E_RNA)
where:
Base-Base interactions energy: -128.131
where: short stacking energy: -69.124
Base-Backbone interact. energy: -0.960
local terms energy: -81.407431
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -9.717
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -19.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -113.061745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.061745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.061745 (E_RNA)
where:
Base-Base interactions energy: -50.127
where: short stacking energy: -49.684
Base-Backbone interact. energy: -0.122
local terms energy: -62.813284
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -5.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -117.258033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.258033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.258033 (E_RNA)
where:
Base-Base interactions energy: -47.983
where: short stacking energy: -47.983
Base-Backbone interact. energy: -0.245
local terms energy: -69.030617
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -8.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -117.756784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.756784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.756784 (E_RNA)
where:
Base-Base interactions energy: -43.119
where: short stacking energy: -30.456
Base-Backbone interact. energy: 0.320
local terms energy: -74.957981
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -10.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -106.014770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.014770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.014770 (E_RNA)
where:
Base-Base interactions energy: -38.338
where: short stacking energy: -37.565
Base-Backbone interact. energy: -0.888
local terms energy: -66.788290
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: 3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -96.401672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.401672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.401672 (E_RNA)
where:
Base-Base interactions energy: -39.909
where: short stacking energy: -30.490
Base-Backbone interact. energy: -0.301
local terms energy: -56.191302
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: 6.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -303.841535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.841535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.841535 (E_RNA)
where:
Base-Base interactions energy: -200.006
where: short stacking energy: -89.862
Base-Backbone interact. energy: -0.657
local terms energy: -103.178175
where:
bonds (distance) C4'-P energy: -23.365
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -21.756
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: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -263.505400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.505400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.505400 (E_RNA)
where:
Base-Base interactions energy: -175.371
where: short stacking energy: -71.419
Base-Backbone interact. energy: -0.598
local terms energy: -87.536337
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -16.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -285.371536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.371536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.371536 (E_RNA)
where:
Base-Base interactions energy: -189.754
where: short stacking energy: -90.562
Base-Backbone interact. energy: -0.065
local terms energy: -95.553028
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -21.733
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: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -270.006974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.006974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.006974 (E_RNA)
where:
Base-Base interactions energy: -185.169
where: short stacking energy: -77.575
Base-Backbone interact. energy: -0.117
local terms energy: -84.720820
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -15.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -217.563665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.563665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.563665 (E_RNA)
where:
Base-Base interactions energy: -144.695
where: short stacking energy: -55.389
Base-Backbone interact. energy: -0.143
local terms energy: -72.726268
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -11.711
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: 6, replica: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -144.337199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.337199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.337199 (E_RNA)
where:
Base-Base interactions energy: -62.092
where: short stacking energy: -49.438
Base-Backbone interact. energy: -0.128
local terms energy: -82.116711
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -22.406
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -131.423715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.423715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.423715 (E_RNA)
where:
Base-Base interactions energy: -57.953
where: short stacking energy: -45.907
Base-Backbone interact. energy: -0.177
local terms energy: -73.293505
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -22.998
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -5.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -128.722549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.722549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.722549 (E_RNA)
where:
Base-Base interactions energy: -54.862
where: short stacking energy: -54.862
Base-Backbone interact. energy: -0.190
local terms energy: -73.670619
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -105.118713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.118713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.118713 (E_RNA)
where:
Base-Base interactions energy: -32.504
where: short stacking energy: -32.157
Base-Backbone interact. energy: -0.247
local terms energy: -72.368326
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -22.230
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -98.057205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.057205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.057205 (E_RNA)
where:
Base-Base interactions energy: -28.724
where: short stacking energy: -26.504
Base-Backbone interact. energy: -0.142
local terms energy: -69.191997
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -305.607169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.607169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.607169 (E_RNA)
where:
Base-Base interactions energy: -212.048
where: short stacking energy: -91.691
Base-Backbone interact. energy: -0.289
local terms energy: -93.270385
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -25.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -272.691207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.691207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.691207 (E_RNA)
where:
Base-Base interactions energy: -173.952
where: short stacking energy: -82.460
Base-Backbone interact. energy: -0.200
local terms energy: -98.538993
where:
bonds (distance) C4'-P energy: -19.839
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -287.224783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.224783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.224783 (E_RNA)
where:
Base-Base interactions energy: -195.310
where: short stacking energy: -80.648
Base-Backbone interact. energy: 1.278
local terms energy: -93.192735
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -21.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -265.635322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.635322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.635322 (E_RNA)
where:
Base-Base interactions energy: -177.148
where: short stacking energy: -70.405
Base-Backbone interact. energy: -0.398
local terms energy: -88.088994
where:
bonds (distance) C4'-P energy: -20.927
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -20.419
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -15.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -210.384743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.384743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.384743 (E_RNA)
where:
Base-Base interactions energy: -135.904
where: short stacking energy: -78.531
Base-Backbone interact. energy: -0.728
local terms energy: -73.753062
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -17.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -125.876253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.876253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.876253 (E_RNA)
where:
Base-Base interactions energy: -66.888
where: short stacking energy: -40.907
Base-Backbone interact. energy: -0.714
local terms energy: -58.274160
where:
bonds (distance) C4'-P energy: -23.258
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: 1.880
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: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -127.424739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.424739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.424739 (E_RNA)
where:
Base-Base interactions energy: -51.750
where: short stacking energy: -46.350
Base-Backbone interact. energy: -0.079
local terms energy: -75.596268
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -9.056
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: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -135.292749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.292749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.292749 (E_RNA)
where:
Base-Base interactions energy: -74.183
where: short stacking energy: -43.325
Base-Backbone interact. energy: -0.068
local terms energy: -61.041428
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -107.885763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.885763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.885763 (E_RNA)
where:
Base-Base interactions energy: -28.988
where: short stacking energy: -29.688
Base-Backbone interact. energy: -0.311
local terms energy: -78.586267
where:
bonds (distance) C4'-P energy: -22.157
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -15.733
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: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -99.030739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.030739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.030739 (E_RNA)
where:
Base-Base interactions energy: -32.052
where: short stacking energy: -28.215
Base-Backbone interact. energy: -0.494
local terms energy: -66.485193
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -22.822
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -320.316670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.316670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.316670 (E_RNA)
where:
Base-Base interactions energy: -212.898
where: short stacking energy: -98.826
Base-Backbone interact. energy: -0.310
local terms energy: -107.108279
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -28.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -283.486156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.486156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.486156 (E_RNA)
where:
Base-Base interactions energy: -201.810
where: short stacking energy: -89.610
Base-Backbone interact. energy: -0.060
local terms energy: -81.616254
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -293.241081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.241081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.241081 (E_RNA)
where:
Base-Base interactions energy: -201.606
where: short stacking energy: -94.446
Base-Backbone interact. energy: -0.124
local terms energy: -91.510454
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -25.330
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: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -264.342968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.342968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.342968 (E_RNA)
where:
Base-Base interactions energy: -170.760
where: short stacking energy: -81.566
Base-Backbone interact. energy: -0.124
local terms energy: -93.458826
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -19.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -202.676700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.676700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.676700 (E_RNA)
where:
Base-Base interactions energy: -116.108
where: short stacking energy: -70.884
Base-Backbone interact. energy: -2.049
local terms energy: -84.520413
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -15.461
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: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -122.086329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.086329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.086329 (E_RNA)
where:
Base-Base interactions energy: -42.457
where: short stacking energy: -34.204
Base-Backbone interact. energy: 2.821
local terms energy: -82.449771
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -23.382
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -158.051439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.051439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.051439 (E_RNA)
where:
Base-Base interactions energy: -86.152
where: short stacking energy: -51.681
Base-Backbone interact. energy: 1.838
local terms energy: -73.737753
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -11.419
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: 8, replica: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -126.337273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.337273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.337273 (E_RNA)
where:
Base-Base interactions energy: -60.000
where: short stacking energy: -33.820
Base-Backbone interact. energy: -0.295
local terms energy: -66.042257
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -101.783257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.783257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.783257 (E_RNA)
where:
Base-Base interactions energy: -40.048
where: short stacking energy: -40.048
Base-Backbone interact. energy: -0.201
local terms energy: -61.534610
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -7.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -96.584195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.584195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.584195 (E_RNA)
where:
Base-Base interactions energy: -33.535
where: short stacking energy: -20.745
Base-Backbone interact. energy: -0.288
local terms energy: -62.761330
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: 2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -311.496400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.496400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.496400 (E_RNA)
where:
Base-Base interactions energy: -211.396
where: short stacking energy: -94.039
Base-Backbone interact. energy: -0.093
local terms energy: -100.007597
where:
bonds (distance) C4'-P energy: -21.380
bonds (distance) P-C4' energy: -16.398
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -27.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -283.507370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.507370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.507370 (E_RNA)
where:
Base-Base interactions energy: -180.120
where: short stacking energy: -90.934
Base-Backbone interact. energy: -0.024
local terms energy: -103.362782
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -22.230
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -25.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -281.906549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.906549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.906549 (E_RNA)
where:
Base-Base interactions energy: -189.572
where: short stacking energy: -93.171
Base-Backbone interact. energy: 0.140
local terms energy: -92.475314
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -21.620
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -24.704
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: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -283.580745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.580745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.580745 (E_RNA)
where:
Base-Base interactions energy: -184.662
where: short stacking energy: -91.050
Base-Backbone interact. energy: -0.074
local terms energy: -98.844672
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -28.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -196.732455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.732455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.732455 (E_RNA)
where:
Base-Base interactions energy: -113.315
where: short stacking energy: -65.906
Base-Backbone interact. energy: -0.120
local terms energy: -83.298121
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -23.674
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -113.550179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.550179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.550179 (E_RNA)
where:
Base-Base interactions energy: -41.297
where: short stacking energy: -31.891
Base-Backbone interact. energy: 0.804
local terms energy: -73.057222
where:
bonds (distance) C4'-P energy: -20.933
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -0.714
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: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -118.785680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.785680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.785680 (E_RNA)
where:
Base-Base interactions energy: -59.218
where: short stacking energy: -38.212
Base-Backbone interact. energy: 1.054
local terms energy: -60.622455
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -2.103
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: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -135.214784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.214784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.214784 (E_RNA)
where:
Base-Base interactions energy: -67.288
where: short stacking energy: -41.796
Base-Backbone interact. energy: -0.323
local terms energy: -67.603889
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -124.012407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.012407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.012407 (E_RNA)
where:
Base-Base interactions energy: -48.865
where: short stacking energy: -48.865
Base-Backbone interact. energy: -0.242
local terms energy: -74.905567
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -15.517
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: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -96.949636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.949636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.949636 (E_RNA)
where:
Base-Base interactions energy: -38.517
where: short stacking energy: -35.011
Base-Backbone interact. energy: 0.188
local terms energy: -58.621093
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -4.094
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -310.443031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.443031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.443031 (E_RNA)
where:
Base-Base interactions energy: -209.217
where: short stacking energy: -90.520
Base-Backbone interact. energy: -1.248
local terms energy: -99.977751
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -25.248
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: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -293.730531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.730531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.730531 (E_RNA)
where:
Base-Base interactions energy: -192.688
where: short stacking energy: -91.157
Base-Backbone interact. energy: -0.071
local terms energy: -100.971888
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -20.632
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -25.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -275.645330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.645330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.645330 (E_RNA)
where:
Base-Base interactions energy: -172.910
where: short stacking energy: -90.823
Base-Backbone interact. energy: -0.039
local terms energy: -102.697037
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -15.008
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: 4, replica: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -279.252642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.252642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.252642 (E_RNA)
where:
Base-Base interactions energy: -183.774
where: short stacking energy: -92.266
Base-Backbone interact. energy: -0.067
local terms energy: -95.411579
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -29.515
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: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -208.798376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.798376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.798376 (E_RNA)
where:
Base-Base interactions energy: -125.627
where: short stacking energy: -72.896
Base-Backbone interact. energy: -0.165
local terms energy: -83.006116
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -16.963
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: 473
Temperature: 1.150000
Total energy: -156.825683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.825683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.825683 (E_RNA)
where:
Base-Base interactions energy: -91.602
where: short stacking energy: -57.284
Base-Backbone interact. energy: -0.317
local terms energy: -64.907613
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -10.217
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: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -126.095595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.095595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.095595 (E_RNA)
where:
Base-Base interactions energy: -56.667
where: short stacking energy: -44.943
Base-Backbone interact. energy: 0.047
local terms energy: -69.475804
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -10.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -113.476745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.476745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.476745 (E_RNA)
where:
Base-Base interactions energy: -48.795
where: short stacking energy: -33.910
Base-Backbone interact. energy: -0.677
local terms energy: -64.005333
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: 1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -93.557543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.557543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.557543 (E_RNA)
where:
Base-Base interactions energy: -32.220
where: short stacking energy: -28.053
Base-Backbone interact. energy: -0.859
local terms energy: -60.478041
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -10.527
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: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -102.862208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.862208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.862208 (E_RNA)
where:
Base-Base interactions energy: -31.769
where: short stacking energy: -31.769
Base-Backbone interact. energy: -0.323
local terms energy: -70.770841
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -295.260246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.260246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.260246 (E_RNA)
where:
Base-Base interactions energy: -195.989
where: short stacking energy: -89.630
Base-Backbone interact. energy: -0.712
local terms energy: -98.558614
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -24.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -297.959585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.959585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.959585 (E_RNA)
where:
Base-Base interactions energy: -192.936
where: short stacking energy: -91.601
Base-Backbone interact. energy: -0.404
local terms energy: -104.618738
where:
bonds (distance) C4'-P energy: -20.480
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -27.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -274.902154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.902154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.902154 (E_RNA)
where:
Base-Base interactions energy: -177.551
where: short stacking energy: -85.619
Base-Backbone interact. energy: -0.252
local terms energy: -97.098556
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -20.891
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -267.077798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.077798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.077798 (E_RNA)
where:
Base-Base interactions energy: -181.043
where: short stacking energy: -81.758
Base-Backbone interact. energy: 0.284
local terms energy: -86.318424
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -22.943
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: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -207.610431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.610431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.610431 (E_RNA)
where:
Base-Base interactions energy: -126.314
where: short stacking energy: -76.076
Base-Backbone interact. energy: -0.057
local terms energy: -81.239384
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -23.159
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -13.510
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: 6, replica: 8
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -169.583678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.583678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.583678 (E_RNA)
where:
Base-Base interactions energy: -103.132
where: short stacking energy: -57.458
Base-Backbone interact. energy: -0.057
local terms energy: -66.394443
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -8.686
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: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -118.676593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.676593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.676593 (E_RNA)
where:
Base-Base interactions energy: -59.832
where: short stacking energy: -44.285
Base-Backbone interact. energy: -0.349
local terms energy: -58.495471
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -112.203035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.203035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.203035 (E_RNA)
where:
Base-Base interactions energy: -47.890
where: short stacking energy: -43.463
Base-Backbone interact. energy: -0.805
local terms energy: -63.508097
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -108.094033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.094033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.094033 (E_RNA)
where:
Base-Base interactions energy: -30.055
where: short stacking energy: -29.473
Base-Backbone interact. energy: -0.118
local terms energy: -77.920940
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -13.399
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: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -111.964934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.964934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.964934 (E_RNA)
where:
Base-Base interactions energy: -43.375
where: short stacking energy: -43.269
Base-Backbone interact. energy: -0.186
local terms energy: -68.404036
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -297.711933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.711933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.711933 (E_RNA)
where:
Base-Base interactions energy: -198.562
where: short stacking energy: -89.249
Base-Backbone interact. energy: -0.409
local terms energy: -98.740744
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -22.321
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -20.676
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: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -293.284857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.284857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.284857 (E_RNA)
where:
Base-Base interactions energy: -190.672
where: short stacking energy: -88.933
Base-Backbone interact. energy: -0.117
local terms energy: -102.495526
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -23.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -294.648876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.648876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.648876 (E_RNA)
where:
Base-Base interactions energy: -199.238
where: short stacking energy: -89.802
Base-Backbone interact. energy: 1.239
local terms energy: -96.649976
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -26.383
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: 6
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -260.688265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.688265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.688265 (E_RNA)
where:
Base-Base interactions energy: -172.509
where: short stacking energy: -81.813
Base-Backbone interact. energy: -0.787
local terms energy: -87.391834
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -23.512
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: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -201.356326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.356326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.356326 (E_RNA)
where:
Base-Base interactions energy: -121.093
where: short stacking energy: -64.044
Base-Backbone interact. energy: -0.201
local terms energy: -80.062568
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -17.157
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: 8
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -206.360458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.360458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.360458 (E_RNA)
where:
Base-Base interactions energy: -119.354
where: short stacking energy: -78.038
Base-Backbone interact. energy: -0.102
local terms energy: -86.904677
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -119.917228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.917228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.917228 (E_RNA)
where:
Base-Base interactions energy: -45.737
where: short stacking energy: -43.707
Base-Backbone interact. energy: -0.256
local terms energy: -73.924621
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -9.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -111.744478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.744478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.744478 (E_RNA)
where:
Base-Base interactions energy: -37.803
where: short stacking energy: -32.849
Base-Backbone interact. energy: -0.167
local terms energy: -73.774952
where:
bonds (distance) C4'-P energy: -22.075
bonds (distance) P-C4' energy: -22.921
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -4.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -109.114860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.114860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.114860 (E_RNA)
where:
Base-Base interactions energy: -40.308
where: short stacking energy: -40.308
Base-Backbone interact. energy: -0.161
local terms energy: -68.645816
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -15.508
tors. eta vs tors. theta energy: -3.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -116.820420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.820420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.820420 (E_RNA)
where:
Base-Base interactions energy: -55.053
where: short stacking energy: -42.866
Base-Backbone interact. energy: 1.353
local terms energy: -63.120693
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -5.459
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -310.385775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.385775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.385775 (E_RNA)
where:
Base-Base interactions energy: -196.289
where: short stacking energy: -100.860
Base-Backbone interact. energy: -0.603
local terms energy: -113.493026
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -25.122
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -31.487
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: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -290.399280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.399280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.399280 (E_RNA)
where:
Base-Base interactions energy: -197.373
where: short stacking energy: -89.635
Base-Backbone interact. energy: 5.196
local terms energy: -98.221443
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -22.385
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -14.635
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: 3, replica: 5
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -297.713522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.713522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.713522 (E_RNA)
where:
Base-Base interactions energy: -205.155
where: short stacking energy: -85.505
Base-Backbone interact. energy: -0.312
local terms energy: -92.245674
where:
bonds (distance) C4'-P energy: -20.428
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -20.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -247.126218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.126218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.126218 (E_RNA)
where:
Base-Base interactions energy: -158.309
where: short stacking energy: -71.112
Base-Backbone interact. energy: -0.644
local terms energy: -88.172771
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -22.214
flat angles P-C4'-P energy: -10.472
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: 5, replica: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -194.924478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.924478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.924478 (E_RNA)
where:
Base-Base interactions energy: -112.004
where: short stacking energy: -75.140
Base-Backbone interact. energy: -0.093
local terms energy: -82.827112
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -17.801
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: 2
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -190.259675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.259675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.259675 (E_RNA)
where:
Base-Base interactions energy: -112.032
where: short stacking energy: -73.200
Base-Backbone interact. energy: -1.495
local terms energy: -76.732425
where:
bonds (distance) C4'-P energy: -20.675
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -12.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -153.650766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.650766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.650766 (E_RNA)
where:
Base-Base interactions energy: -95.648
where: short stacking energy: -45.761
Base-Backbone interact. energy: 1.415
local terms energy: -59.418418
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -5.773
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: 8, replica: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -133.746653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.746653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.746653 (E_RNA)
where:
Base-Base interactions energy: -59.902
where: short stacking energy: -57.943
Base-Backbone interact. energy: -0.698
local terms energy: -73.146484
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -21.323
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -12.176
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: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -102.821408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.821408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.821408 (E_RNA)
where:
Base-Base interactions energy: -39.487
where: short stacking energy: -29.159
Base-Backbone interact. energy: 0.682
local terms energy: -64.017299
where:
bonds (distance) C4'-P energy: -22.510
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -4.167
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: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -100.547238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.547238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.547238 (E_RNA)
where:
Base-Base interactions energy: -44.073
where: short stacking energy: -44.073
Base-Backbone interact. energy: -0.437
local terms energy: -56.037899
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -1.722
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -311.089479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.089479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.089479 (E_RNA)
where:
Base-Base interactions energy: -202.571
where: short stacking energy: -96.353
Base-Backbone interact. energy: -0.168
local terms energy: -108.350509
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -22.000
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -26.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -311.906966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.906966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.906966 (E_RNA)
where:
Base-Base interactions energy: -219.619
where: short stacking energy: -89.270
Base-Backbone interact. energy: -1.091
local terms energy: -91.196534
where:
bonds (distance) C4'-P energy: -23.440
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -21.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -290.998999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.998999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.998999 (E_RNA)
where:
Base-Base interactions energy: -203.793
where: short stacking energy: -92.341
Base-Backbone interact. energy: -1.164
local terms energy: -86.041707
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -17.310
tors. eta vs tors. theta energy: -18.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -264.308138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.308138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.308138 (E_RNA)
where:
Base-Base interactions energy: -168.124
where: short stacking energy: -77.036
Base-Backbone interact. energy: -0.043
local terms energy: -96.141991
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -21.464
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -22.716
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: 477
Temperature: 1.100000
Total energy: -193.034517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.034517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.034517 (E_RNA)
where:
Base-Base interactions energy: -97.035
where: short stacking energy: -57.280
Base-Backbone interact. energy: -0.149
local terms energy: -95.850059
where:
bonds (distance) C4'-P energy: -21.262
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -191.432016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.432016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.432016 (E_RNA)
where:
Base-Base interactions energy: -104.935
where: short stacking energy: -63.427
Base-Backbone interact. energy: -0.050
local terms energy: -86.447059
where:
bonds (distance) C4'-P energy: -18.917
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -12.682
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: 2
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -138.618526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.618526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.618526 (E_RNA)
where:
Base-Base interactions energy: -70.661
where: short stacking energy: -39.974
Base-Backbone interact. energy: 1.545
local terms energy: -69.502163
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: 1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -116.486019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.486019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.486019 (E_RNA)
where:
Base-Base interactions energy: -51.059
where: short stacking energy: -31.329
Base-Backbone interact. energy: -0.128
local terms energy: -65.298507
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -1.694
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: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -97.481262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.481262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.481262 (E_RNA)
where:
Base-Base interactions energy: -32.988
where: short stacking energy: -17.753
Base-Backbone interact. energy: -0.386
local terms energy: -64.107106
where:
bonds (distance) C4'-P energy: -21.102
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: 0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -103.512335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.512335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.512335 (E_RNA)
where:
Base-Base interactions energy: -36.813
where: short stacking energy: -36.730
Base-Backbone interact. energy: -0.170
local terms energy: -66.528770
where:
bonds (distance) C4'-P energy: -21.960
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -316.644655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.644655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.644655 (E_RNA)
where:
Base-Base interactions energy: -210.323
where: short stacking energy: -95.617
Base-Backbone interact. energy: -1.953
local terms energy: -104.369017
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -18.747
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -28.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -301.897004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.897004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.897004 (E_RNA)
where:
Base-Base interactions energy: -204.505
where: short stacking energy: -95.618
Base-Backbone interact. energy: -0.054
local terms energy: -97.337476
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -23.651
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -28.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -293.544829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.544829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.544829 (E_RNA)
where:
Base-Base interactions energy: -202.978
where: short stacking energy: -87.244
Base-Backbone interact. energy: -0.081
local terms energy: -90.486243
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -20.749
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: 6
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -266.558781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.558781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.558781 (E_RNA)
where:
Base-Base interactions energy: -167.528
where: short stacking energy: -83.629
Base-Backbone interact. energy: -0.612
local terms energy: -98.418920
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -23.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -191.890637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.890637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.890637 (E_RNA)
where:
Base-Base interactions energy: -117.612
where: short stacking energy: -71.798
Base-Backbone interact. energy: -0.058
local terms energy: -74.221078
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -166.928297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.928297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.928297 (E_RNA)
where:
Base-Base interactions energy: -87.710
where: short stacking energy: -57.613
Base-Backbone interact. energy: -0.303
local terms energy: -78.915079
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -11.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -172.531681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.531681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.531681 (E_RNA)
where:
Base-Base interactions energy: -91.517
where: short stacking energy: -57.030
Base-Backbone interact. energy: -0.283
local terms energy: -80.731783
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -22.837
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -134.238214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.238214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.238214 (E_RNA)
where:
Base-Base interactions energy: -69.020
where: short stacking energy: -59.503
Base-Backbone interact. energy: -0.181
local terms energy: -65.037038
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -2.113
tors. eta vs tors. theta energy: -15.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -94.270980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.270980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.270980 (E_RNA)
where:
Base-Base interactions energy: -42.285
where: short stacking energy: -32.703
Base-Backbone interact. energy: -0.211
local terms energy: -51.775173
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -9.085
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: 0.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -105.198168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.198168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.198168 (E_RNA)
where:
Base-Base interactions energy: -45.934
where: short stacking energy: -37.479
Base-Backbone interact. energy: -0.910
local terms energy: -58.353882
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: 1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -293.975083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.975083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.975083 (E_RNA)
where:
Base-Base interactions energy: -192.419
where: short stacking energy: -89.915
Base-Backbone interact. energy: -0.647
local terms energy: -100.909270
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -20.790
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -24.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -296.567427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.567427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.567427 (E_RNA)
where:
Base-Base interactions energy: -194.678
where: short stacking energy: -87.864
Base-Backbone interact. energy: -0.437
local terms energy: -101.452792
where:
bonds (distance) C4'-P energy: -19.863
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -27.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -290.665141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.665141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.665141 (E_RNA)
where:
Base-Base interactions energy: -189.991
where: short stacking energy: -89.391
Base-Backbone interact. energy: -0.034
local terms energy: -100.640056
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -24.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -271.784797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.784797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.784797 (E_RNA)
where:
Base-Base interactions energy: -174.943
where: short stacking energy: -77.476
Base-Backbone interact. energy: -0.506
local terms energy: -96.336034
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -24.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -178.283064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.283064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.283064 (E_RNA)
where:
Base-Base interactions energy: -93.596
where: short stacking energy: -48.356
Base-Backbone interact. energy: -1.788
local terms energy: -82.898828
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -17.492
tors. eta vs tors. theta energy: -13.271
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: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -175.717467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.717467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.717467 (E_RNA)
where:
Base-Base interactions energy: -89.617
where: short stacking energy: -63.316
Base-Backbone interact. energy: -0.102
local terms energy: -85.998402
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -22.617
flat angles P-C4'-P energy: -11.531
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: 7, replica: 7
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -160.951868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.951868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.951868 (E_RNA)
where:
Base-Base interactions energy: -90.590
where: short stacking energy: -48.496
Base-Backbone interact. energy: 1.912
local terms energy: -72.272972
where:
bonds (distance) C4'-P energy: -19.854
bonds (distance) P-C4' energy: -21.724
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -114.181924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.181924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.181924 (E_RNA)
where:
Base-Base interactions energy: -48.649
where: short stacking energy: -28.699
Base-Backbone interact. energy: -0.041
local terms energy: -65.491925
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: 0.006
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: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -101.376668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.376668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.376668 (E_RNA)
where:
Base-Base interactions energy: -44.282
where: short stacking energy: -28.221
Base-Backbone interact. energy: 0.747
local terms energy: -57.841505
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: 0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -106.142085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.142085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.142085 (E_RNA)
where:
Base-Base interactions energy: -38.481
where: short stacking energy: -38.481
Base-Backbone interact. energy: 2.565
local terms energy: -70.226912
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -10.857
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -298.025963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.025963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.025963 (E_RNA)
where:
Base-Base interactions energy: -199.254
where: short stacking energy: -92.970
Base-Backbone interact. energy: 0.288
local terms energy: -99.059867
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -24.227
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: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -289.269473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.269473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.269473 (E_RNA)
where:
Base-Base interactions energy: -195.768
where: short stacking energy: -90.019
Base-Backbone interact. energy: -0.555
local terms energy: -92.946643
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -21.005
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: 6
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -287.141733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.141733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.141733 (E_RNA)
where:
Base-Base interactions energy: -191.856
where: short stacking energy: -79.300
Base-Backbone interact. energy: -0.023
local terms energy: -95.263177
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -20.623
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -22.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -277.099316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.099316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.099316 (E_RNA)
where:
Base-Base interactions energy: -178.504
where: short stacking energy: -85.251
Base-Backbone interact. energy: -0.913
local terms energy: -97.682781
where:
bonds (distance) C4'-P energy: -22.315
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -23.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -190.327619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.327619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.327619 (E_RNA)
where:
Base-Base interactions energy: -101.185
where: short stacking energy: -59.531
Base-Backbone interact. energy: -0.116
local terms energy: -89.027203
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -23.666
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -14.186
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: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -175.625180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.625180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.625180 (E_RNA)
where:
Base-Base interactions energy: -94.816
where: short stacking energy: -63.760
Base-Backbone interact. energy: -0.170
local terms energy: -80.639610
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -16.477
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: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -129.001237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.001237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.001237 (E_RNA)
where:
Base-Base interactions energy: -58.151
where: short stacking energy: -57.220
Base-Backbone interact. energy: -0.110
local terms energy: -70.739883
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -122.206361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.206361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.206361 (E_RNA)
where:
Base-Base interactions energy: -49.430
where: short stacking energy: -46.827
Base-Backbone interact. energy: 0.495
local terms energy: -73.271170
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -107.371468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.371468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.371468 (E_RNA)
where:
Base-Base interactions energy: -44.497
where: short stacking energy: -44.497
Base-Backbone interact. energy: -0.061
local terms energy: -62.813490
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -8.730
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: 10, replica: 2
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -98.690668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.690668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.690668 (E_RNA)
where:
Base-Base interactions energy: -43.877
where: short stacking energy: -39.169
Base-Backbone interact. energy: -0.597
local terms energy: -54.216745
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -6.947
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: 0.133
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -295.246642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.246642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.246642 (E_RNA)
where:
Base-Base interactions energy: -192.031
where: short stacking energy: -94.436
Base-Backbone interact. energy: -0.525
local terms energy: -102.690034
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -24.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -301.040460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.040460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.040460 (E_RNA)
where:
Base-Base interactions energy: -199.399
where: short stacking energy: -91.086
Base-Backbone interact. energy: -1.135
local terms energy: -100.506763
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -23.036
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -25.653
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: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -294.710659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.710659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.710659 (E_RNA)
where:
Base-Base interactions energy: -199.992
where: short stacking energy: -90.389
Base-Backbone interact. energy: -0.142
local terms energy: -94.576682
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -21.043
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -21.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -280.576100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.576100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.576100 (E_RNA)
where:
Base-Base interactions energy: -180.898
where: short stacking energy: -82.948
Base-Backbone interact. energy: -0.068
local terms energy: -99.610166
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -20.888
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -27.135
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: 8
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -208.433178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.433178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.433178 (E_RNA)
where:
Base-Base interactions energy: -121.287
where: short stacking energy: -57.892
Base-Backbone interact. energy: -0.301
local terms energy: -86.846027
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -13.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -173.482525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.482525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.482525 (E_RNA)
where:
Base-Base interactions energy: -94.574
where: short stacking energy: -58.967
Base-Backbone interact. energy: -0.101
local terms energy: -78.807173
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -16.359
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: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -122.236392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.236392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.236392 (E_RNA)
where:
Base-Base interactions energy: -43.934
where: short stacking energy: -43.934
Base-Backbone interact. energy: 0.935
local terms energy: -79.237384
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -112.871394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.871394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.871394 (E_RNA)
where:
Base-Base interactions energy: -37.912
where: short stacking energy: -37.912
Base-Backbone interact. energy: -0.316
local terms energy: -74.643444
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -22.762
flat angles C4'-P-C4' energy: -23.283
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -4.383
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: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -93.668604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.668604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.668604 (E_RNA)
where:
Base-Base interactions energy: -37.450
where: short stacking energy: -37.345
Base-Backbone interact. energy: -0.223
local terms energy: -55.995788
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -2.620
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -95.657907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.657907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.657907 (E_RNA)
where:
Base-Base interactions energy: -40.541
where: short stacking energy: -35.171
Base-Backbone interact. energy: 0.388
local terms energy: -55.504760
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: 2.096
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -298.292148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.292148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.292148 (E_RNA)
where:
Base-Base interactions energy: -199.193
where: short stacking energy: -96.280
Base-Backbone interact. energy: 0.228
local terms energy: -99.327395
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -15.788
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: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -304.542074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.542074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.542074 (E_RNA)
where:
Base-Base interactions energy: -199.156
where: short stacking energy: -95.098
Base-Backbone interact. energy: -1.274
local terms energy: -104.111864
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -26.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -296.737489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.737489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.737489 (E_RNA)
where:
Base-Base interactions energy: -196.191
where: short stacking energy: -101.202
Base-Backbone interact. energy: -0.165
local terms energy: -100.380773
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -25.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -278.679214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.679214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.679214 (E_RNA)
where:
Base-Base interactions energy: -186.649
where: short stacking energy: -85.087
Base-Backbone interact. energy: -0.106
local terms energy: -91.924541
where:
bonds (distance) C4'-P energy: -20.866
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -20.485
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: 482
Temperature: 1.100000
Total energy: -177.931048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.931048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.931048 (E_RNA)
where:
Base-Base interactions energy: -93.831
where: short stacking energy: -52.517
Base-Backbone interact. energy: -1.039
local terms energy: -83.061086
where:
bonds (distance) C4'-P energy: -20.812
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -9.835
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: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -198.682319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.682319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.682319 (E_RNA)
where:
Base-Base interactions energy: -120.025
where: short stacking energy: -60.943
Base-Backbone interact. energy: -0.339
local terms energy: -78.318241
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -12.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -112.936581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.936581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.936581 (E_RNA)
where:
Base-Base interactions energy: -39.661
where: short stacking energy: -39.661
Base-Backbone interact. energy: -1.607
local terms energy: -71.668650
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -9.231
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: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -121.520853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.520853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.520853 (E_RNA)
where:
Base-Base interactions energy: -49.262
where: short stacking energy: -49.262
Base-Backbone interact. energy: 1.177
local terms energy: -73.434948
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -6.706
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: 2
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -107.720299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.720299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.720299 (E_RNA)
where:
Base-Base interactions energy: -47.975
where: short stacking energy: -34.272
Base-Backbone interact. energy: -0.217
local terms energy: -59.528158
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -10.946
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: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -101.687364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.687364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.687364 (E_RNA)
where:
Base-Base interactions energy: -43.063
where: short stacking energy: -33.576
Base-Backbone interact. energy: -0.500
local terms energy: -58.124397
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -300.028459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.028459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.028459 (E_RNA)
where:
Base-Base interactions energy: -197.379
where: short stacking energy: -86.879
Base-Backbone interact. energy: -1.231
local terms energy: -101.418460
where:
bonds (distance) C4'-P energy: -20.024
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -24.057
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -305.283824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.283824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.283824 (E_RNA)
where:
Base-Base interactions energy: -204.739
where: short stacking energy: -92.173
Base-Backbone interact. energy: 0.130
local terms energy: -100.675065
where:
bonds (distance) C4'-P energy: -21.173
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -25.430
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: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -286.106335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.106335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.106335 (E_RNA)
where:
Base-Base interactions energy: -185.520
where: short stacking energy: -85.021
Base-Backbone interact. energy: -0.695
local terms energy: -99.890551
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -22.721
flat angles C4'-P-C4' energy: -23.782
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -24.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -286.359217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.359217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.359217 (E_RNA)
where:
Base-Base interactions energy: -195.910
where: short stacking energy: -93.617
Base-Backbone interact. energy: -0.688
local terms energy: -89.760990
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -15.610
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -189.751729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.751729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.751729 (E_RNA)
where:
Base-Base interactions energy: -114.539
where: short stacking energy: -59.301
Base-Backbone interact. energy: -0.384
local terms energy: -74.828714
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -10.443
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: 6, replica: 8
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -174.527057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.527057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.527057 (E_RNA)
where:
Base-Base interactions energy: -103.958
where: short stacking energy: -62.234
Base-Backbone interact. energy: -0.094
local terms energy: -70.474812
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -13.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -130.304534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.304534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.304534 (E_RNA)
where:
Base-Base interactions energy: -52.207
where: short stacking energy: -46.422
Base-Backbone interact. energy: -0.178
local terms energy: -77.920089
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -10.224
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: 2
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -117.526480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.526480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.526480 (E_RNA)
where:
Base-Base interactions energy: -42.181
where: short stacking energy: -42.181
Base-Backbone interact. energy: -0.230
local terms energy: -75.115881
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -9.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -105.780631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.780631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.780631 (E_RNA)
where:
Base-Base interactions energy: -43.438
where: short stacking energy: -34.672
Base-Backbone interact. energy: -0.227
local terms energy: -62.115459
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -17.497
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: 2.045
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: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -94.270642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.270642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.270642 (E_RNA)
where:
Base-Base interactions energy: -34.888
where: short stacking energy: -33.562
Base-Backbone interact. energy: -0.810
local terms energy: -58.572776
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -0.080
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -311.886091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.886091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.886091 (E_RNA)
where:
Base-Base interactions energy: -204.130
where: short stacking energy: -96.169
Base-Backbone interact. energy: -0.895
local terms energy: -106.861145
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -16.348
tors. eta vs tors. theta energy: -27.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -297.050236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.050236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.050236 (E_RNA)
where:
Base-Base interactions energy: -190.264
where: short stacking energy: -85.591
Base-Backbone interact. energy: -0.097
local terms energy: -106.689553
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -24.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -289.625236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.625236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.625236 (E_RNA)
where:
Base-Base interactions energy: -184.206
where: short stacking energy: -93.798
Base-Backbone interact. energy: -0.208
local terms energy: -105.210994
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -19.295
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -27.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -286.394104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.394104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.394104 (E_RNA)
where:
Base-Base interactions energy: -194.511
where: short stacking energy: -100.412
Base-Backbone interact. energy: -0.108
local terms energy: -91.774621
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -19.973
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -26.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -188.915751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.915751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.915751 (E_RNA)
where:
Base-Base interactions energy: -101.791
where: short stacking energy: -65.375
Base-Backbone interact. energy: -0.925
local terms energy: -86.200065
where:
bonds (distance) C4'-P energy: -20.891
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -189.499218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.499218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.499218 (E_RNA)
where:
Base-Base interactions energy: -110.522
where: short stacking energy: -57.671
Base-Backbone interact. energy: -0.859
local terms energy: -78.118742
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -13.357
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: 7, replica: 2
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -102.403327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.403327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.403327 (E_RNA)
where:
Base-Base interactions energy: -46.380
where: short stacking energy: -33.064
Base-Backbone interact. energy: 2.708
local terms energy: -58.730832
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: 2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -121.705080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.705080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.705080 (E_RNA)
where:
Base-Base interactions energy: -51.688
where: short stacking energy: -50.945
Base-Backbone interact. energy: -0.028
local terms energy: -69.989043
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -9.613
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: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -122.118478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.118478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.118478 (E_RNA)
where:
Base-Base interactions energy: -63.365
where: short stacking energy: -33.440
Base-Backbone interact. energy: 1.054
local terms energy: -59.807795
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: 3.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -119.371250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.371250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.371250 (E_RNA)
where:
Base-Base interactions energy: -48.452
where: short stacking energy: -44.586
Base-Backbone interact. energy: -0.070
local terms energy: -70.849023
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -9.618
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -296.451428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.451428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.451428 (E_RNA)
where:
Base-Base interactions energy: -192.326
where: short stacking energy: -82.802
Base-Backbone interact. energy: -0.294
local terms energy: -103.831453
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -24.082
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -24.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -288.934497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.934497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.934497 (E_RNA)
where:
Base-Base interactions energy: -190.509
where: short stacking energy: -87.438
Base-Backbone interact. energy: -1.107
local terms energy: -97.318212
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -23.596
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -23.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -291.916537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.916537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.916537 (E_RNA)
where:
Base-Base interactions energy: -182.976
where: short stacking energy: -87.851
Base-Backbone interact. energy: -0.695
local terms energy: -108.244826
where:
bonds (distance) C4'-P energy: -22.567
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -28.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -284.405563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.405563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.405563 (E_RNA)
where:
Base-Base interactions energy: -182.145
where: short stacking energy: -99.212
Base-Backbone interact. energy: -0.032
local terms energy: -102.228614
where:
bonds (distance) C4'-P energy: -23.701
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -28.869
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: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -174.237979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.237979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.237979 (E_RNA)
where:
Base-Base interactions energy: -90.653
where: short stacking energy: -56.787
Base-Backbone interact. energy: -0.309
local terms energy: -83.276304
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -12.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -191.478032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.478032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.478032 (E_RNA)
where:
Base-Base interactions energy: -102.166
where: short stacking energy: -62.525
Base-Backbone interact. energy: -0.915
local terms energy: -88.397308
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -14.748
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: 2
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -126.075521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.075521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.075521 (E_RNA)
where:
Base-Base interactions energy: -62.864
where: short stacking energy: -46.433
Base-Backbone interact. energy: 1.209
local terms energy: -64.420532
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -12.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -116.425146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.425146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.425146 (E_RNA)
where:
Base-Base interactions energy: -50.300
where: short stacking energy: -46.392
Base-Backbone interact. energy: -0.181
local terms energy: -65.944708
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -109.341959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.341959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.341959 (E_RNA)
where:
Base-Base interactions energy: -32.471
where: short stacking energy: -32.471
Base-Backbone interact. energy: -0.631
local terms energy: -76.239438
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -22.061
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -2.176
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: 1
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -116.367203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.367203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.367203 (E_RNA)
where:
Base-Base interactions energy: -51.325
where: short stacking energy: -36.650
Base-Backbone interact. energy: -0.042
local terms energy: -65.000427
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -6.161
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -308.446904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.446904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.446904 (E_RNA)
where:
Base-Base interactions energy: -207.954
where: short stacking energy: -94.061
Base-Backbone interact. energy: -0.798
local terms energy: -99.694816
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -25.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -298.787007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.787007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.787007 (E_RNA)
where:
Base-Base interactions energy: -201.612
where: short stacking energy: -92.630
Base-Backbone interact. energy: -0.037
local terms energy: -97.138190
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -15.123
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: 3, replica: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -287.420351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.420351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.420351 (E_RNA)
where:
Base-Base interactions energy: -185.266
where: short stacking energy: -94.588
Base-Backbone interact. energy: -0.004
local terms energy: -102.151008
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -21.088
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -27.812
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: 486
Temperature: 1.050000
Total energy: -273.286499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.286499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.286499 (E_RNA)
where:
Base-Base interactions energy: -179.142
where: short stacking energy: -80.643
Base-Backbone interact. energy: -0.621
local terms energy: -93.522999
where:
bonds (distance) C4'-P energy: -23.326
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -20.268
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: 486
Temperature: 1.100000
Total energy: -191.908234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.908234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.908234 (E_RNA)
where:
Base-Base interactions energy: -110.732
where: short stacking energy: -53.902
Base-Backbone interact. energy: -1.607
local terms energy: -79.568457
where:
bonds (distance) C4'-P energy: -20.501
bonds (distance) P-C4' energy: -19.511
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -13.413
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: 4
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -191.859077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.859077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.859077 (E_RNA)
where:
Base-Base interactions energy: -99.804
where: short stacking energy: -46.301
Base-Backbone interact. energy: -1.017
local terms energy: -91.038080
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -18.796
tors. eta vs tors. theta energy: -8.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -117.329557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.329557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.329557 (E_RNA)
where:
Base-Base interactions energy: -43.313
where: short stacking energy: -37.122
Base-Backbone interact. energy: 0.193
local terms energy: -74.209684
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -24.171
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -119.077742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.077742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.077742 (E_RNA)
where:
Base-Base interactions energy: -45.085
where: short stacking energy: -35.417
Base-Backbone interact. energy: -0.377
local terms energy: -73.615751
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -15.986
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: 9, replica: 1
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -102.188493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.188493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.188493 (E_RNA)
where:
Base-Base interactions energy: -41.200
where: short stacking energy: -41.200
Base-Backbone interact. energy: 0.107
local terms energy: -61.095238
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -103.058474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.058474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.058474 (E_RNA)
where:
Base-Base interactions energy: -40.688
where: short stacking energy: -33.878
Base-Backbone interact. energy: -0.573
local terms energy: -61.797007
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -4.202
tors. eta vs tors. theta energy: -0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -314.643916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.643916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.643916 (E_RNA)
where:
Base-Base interactions energy: -202.067
where: short stacking energy: -86.731
Base-Backbone interact. energy: -1.069
local terms energy: -111.507962
where:
bonds (distance) C4'-P energy: -23.200
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -19.352
tors. eta vs tors. theta energy: -27.111
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: 2, replica: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -295.597414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.597414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.597414 (E_RNA)
where:
Base-Base interactions energy: -192.084
where: short stacking energy: -91.747
Base-Backbone interact. energy: -0.073
local terms energy: -103.440840
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -23.642
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -22.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -283.525410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.525410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.525410 (E_RNA)
where:
Base-Base interactions energy: -186.332
where: short stacking energy: -90.825
Base-Backbone interact. energy: -0.393
local terms energy: -96.800639
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -24.571
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: 4, replica: 6
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -268.503923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.503923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.503923 (E_RNA)
where:
Base-Base interactions energy: -182.232
where: short stacking energy: -80.475
Base-Backbone interact. energy: -0.220
local terms energy: -86.052230
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -23.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -194.846888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.846888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.846888 (E_RNA)
where:
Base-Base interactions energy: -117.743
where: short stacking energy: -62.914
Base-Backbone interact. energy: -1.440
local terms energy: -75.663533
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -10.698
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: 6, replica: 4
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -181.285610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.285610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.285610 (E_RNA)
where:
Base-Base interactions energy: -97.116
where: short stacking energy: -49.708
Base-Backbone interact. energy: -0.126
local terms energy: -84.044129
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -117.031043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.031043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.031043 (E_RNA)
where:
Base-Base interactions energy: -44.717
where: short stacking energy: -41.676
Base-Backbone interact. energy: -0.847
local terms energy: -71.466840
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -4.414
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: 8, replica: 2
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -138.681354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.681354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.681354 (E_RNA)
where:
Base-Base interactions energy: -63.261
where: short stacking energy: -39.608
Base-Backbone interact. energy: -0.291
local terms energy: -75.129662
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -21.673
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -9.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -114.759941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.759941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.759941 (E_RNA)
where:
Base-Base interactions energy: -50.359
where: short stacking energy: -38.485
Base-Backbone interact. energy: -0.043
local terms energy: -64.357410
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -107.167075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.167075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.167075 (E_RNA)
where:
Base-Base interactions energy: -34.554
where: short stacking energy: -34.235
Base-Backbone interact. energy: -0.184
local terms energy: -72.429399
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -5.436
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -306.395295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.395295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.395295 (E_RNA)
where:
Base-Base interactions energy: -197.799
where: short stacking energy: -90.793
Base-Backbone interact. energy: -0.898
local terms energy: -107.698472
where:
bonds (distance) C4'-P energy: -21.082
bonds (distance) P-C4' energy: -22.905
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -27.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -281.310507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.310507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.310507 (E_RNA)
where:
Base-Base interactions energy: -181.601
where: short stacking energy: -89.518
Base-Backbone interact. energy: -0.072
local terms energy: -99.637797
where:
bonds (distance) C4'-P energy: -21.127
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -17.261
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -287.353340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.353340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.353340 (E_RNA)
where:
Base-Base interactions energy: -186.478
where: short stacking energy: -93.694
Base-Backbone interact. energy: -1.581
local terms energy: -99.294196
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -21.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -285.446127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.446127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.446127 (E_RNA)
where:
Base-Base interactions energy: -184.956
where: short stacking energy: -80.772
Base-Backbone interact. energy: -0.048
local terms energy: -100.442096
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -23.354
flat angles C4'-P-C4' energy: -21.463
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -26.994
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: 488
Temperature: 1.100000
Total energy: -215.373016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.373016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.373016 (E_RNA)
where:
Base-Base interactions energy: -132.398
where: short stacking energy: -68.138
Base-Backbone interact. energy: 1.938
local terms energy: -84.913367
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -13.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -184.758711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.758711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.758711 (E_RNA)
where:
Base-Base interactions energy: -103.160
where: short stacking energy: -52.988
Base-Backbone interact. energy: -0.159
local terms energy: -81.439826
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -19.627
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -9.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -115.456638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.456638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.456638 (E_RNA)
where:
Base-Base interactions energy: -45.856
where: short stacking energy: -28.843
Base-Backbone interact. energy: -0.711
local terms energy: -68.890072
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -1.073
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: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -102.970122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.970122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.970122 (E_RNA)
where:
Base-Base interactions energy: -47.202
where: short stacking energy: -32.614
Base-Backbone interact. energy: -0.186
local terms energy: -55.582406
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: 0.580
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: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -114.609524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.609524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.609524 (E_RNA)
where:
Base-Base interactions energy: -61.701
where: short stacking energy: -38.169
Base-Backbone interact. energy: -0.375
local terms energy: -52.532886
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: 0.025
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: 1
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -102.333611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.333611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.333611 (E_RNA)
where:
Base-Base interactions energy: -39.611
where: short stacking energy: -38.783
Base-Backbone interact. energy: -0.119
local terms energy: -62.603515
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -7.423
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -305.261392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.261392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.261392 (E_RNA)
where:
Base-Base interactions energy: -204.612
where: short stacking energy: -93.527
Base-Backbone interact. energy: -0.970
local terms energy: -99.678716
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -27.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -288.243706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.243706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.243706 (E_RNA)
where:
Base-Base interactions energy: -187.259
where: short stacking energy: -93.972
Base-Backbone interact. energy: -0.360
local terms energy: -100.625320
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -26.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -295.747690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.747690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.747690 (E_RNA)
where:
Base-Base interactions energy: -200.841
where: short stacking energy: -91.843
Base-Backbone interact. energy: -1.949
local terms energy: -92.957726
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -21.442
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: 489
Temperature: 1.050000
Total energy: -278.054529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.054529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.054529 (E_RNA)
where:
Base-Base interactions energy: -183.966
where: short stacking energy: -87.319
Base-Backbone interact. energy: 0.561
local terms energy: -94.649550
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -22.994
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: 489
Temperature: 1.100000
Total energy: -243.921283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.921283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.921283 (E_RNA)
where:
Base-Base interactions energy: -155.079
where: short stacking energy: -86.357
Base-Backbone interact. energy: -0.898
local terms energy: -87.944396
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -20.919
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -22.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -180.564292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.564292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.564292 (E_RNA)
where:
Base-Base interactions energy: -91.606
where: short stacking energy: -49.987
Base-Backbone interact. energy: -0.302
local terms energy: -88.656533
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -23.707
flat angles P-C4'-P energy: -16.159
tors. eta vs tors. theta energy: -15.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -124.653447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.653447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.653447 (E_RNA)
where:
Base-Base interactions energy: -52.681
where: short stacking energy: -38.008
Base-Backbone interact. energy: -1.265
local terms energy: -70.707809
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -140.665948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.665948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.665948 (E_RNA)
where:
Base-Base interactions energy: -89.419
where: short stacking energy: -51.463
Base-Backbone interact. energy: -0.354
local terms energy: -50.893087
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -1.506
tors. eta vs tors. theta energy: -4.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -98.967418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.967418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.967418 (E_RNA)
where:
Base-Base interactions energy: -39.822
where: short stacking energy: -34.361
Base-Backbone interact. energy: -0.091
local terms energy: -59.054272
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: 5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -96.780967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.780967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.780967 (E_RNA)
where:
Base-Base interactions energy: -38.726
where: short stacking energy: -34.340
Base-Backbone interact. energy: -1.210
local terms energy: -56.845000
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: -1.947
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)
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��������DONE
DONE
==================================
temp. level: 1, replica: 6
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -309.497259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.497259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.497259 (E_RNA)
where:
Base-Base interactions energy: -210.309
where: short stacking energy: -98.575
Base-Backbone interact. energy: 0.531
local terms energy: -99.719697
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -25.842
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -298.926714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.926714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.926714 (E_RNA)
where:
Base-Base interactions energy: -199.281
where: short stacking energy: -81.383
Base-Backbone interact. energy: -0.586
local terms energy: -99.059703
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -18.015
tors. eta vs tors. theta energy: -21.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -286.903436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.903436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.903436 (E_RNA)
where:
Base-Base interactions energy: -187.098
where: short stacking energy: -85.263
Base-Backbone interact. energy: -0.418
local terms energy: -99.387158
where:
bonds (distance) C4'-P energy: -23.586
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -24.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -278.365455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.365455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.365455 (E_RNA)
where:
Base-Base interactions energy: -181.782
where: short stacking energy: -82.301
Base-Backbone interact. energy: -1.203
local terms energy: -95.380718
where:
bonds (distance) C4'-P energy: -18.775
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -19.974
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: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -258.965742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.965742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.965742 (E_RNA)
where:
Base-Base interactions energy: -162.067
where: short stacking energy: -82.967
Base-Backbone interact. energy: 2.025
local terms energy: -98.923699
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -25.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -194.374768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.374768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.374768 (E_RNA)
where:
Base-Base interactions energy: -118.828
where: short stacking energy: -60.525
Base-Backbone interact. energy: -0.123
local terms energy: -75.423486
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -22.411
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -13.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -134.989727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.989727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.989727 (E_RNA)
where:
Base-Base interactions energy: -65.892
where: short stacking energy: -46.981
Base-Backbone interact. energy: 2.238
local terms energy: -71.335920
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -2.804
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: 8, replica: 10
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -140.592866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.592866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.592866 (E_RNA)
where:
Base-Base interactions energy: -72.622
where: short stacking energy: -39.903
Base-Backbone interact. energy: -0.205
local terms energy: -67.765905
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -5.424
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -99.994874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.994874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.994874 (E_RNA)
where:
Base-Base interactions energy: -43.942
where: short stacking energy: -33.678
Base-Backbone interact. energy: -0.244
local terms energy: -55.809143
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -9.331
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: 10, replica: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -94.697101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.697101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.697101 (E_RNA)
where:
Base-Base interactions energy: -24.231
where: short stacking energy: -24.231
Base-Backbone interact. energy: -0.230
local terms energy: -70.236248
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -2.173
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)
��������DONE
DONE
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DONE
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DONE
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DONE
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DONE
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DONE