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/RND30-3757590f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-3757590f/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-3757590f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-3757590f/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-3757590f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-3757590f/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-3757590f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-3757590f/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-3757590f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-3757590f/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-3757590f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-3757590f/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-3757590f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-3757590f/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-3757590f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-3757590f/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-3757590f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-3757590f/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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/RND30-3757590f/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RND30-3757590f/inputs/seq.fa: 1
curr_seq: _UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCAGAGGAGUGGGAGCUAUAGCAAGUGUC
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 30 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: 155
n_atoms_counter: 155
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 30.000000 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: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -113.584319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.584319 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -111.413792
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -25.196
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -189.877308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.877308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.877308 (E_RNA)
where:
Base-Base interactions energy: -89.509
where: short stacking energy: -79.323
Base-Backbone interact. energy: -0.036
local terms energy: -100.331992
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -11.870
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -182.871043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.871043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.871043 (E_RNA)
where:
Base-Base interactions energy: -83.478
where: short stacking energy: -77.484
Base-Backbone interact. energy: -0.051
local terms energy: -99.342718
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -20.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -159.524099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.524099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.524099 (E_RNA)
where:
Base-Base interactions energy: -65.029
where: short stacking energy: -65.029
Base-Backbone interact. energy: -0.071
local terms energy: -94.424433
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -16.133
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -153.736169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.736169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.736169 (E_RNA)
where:
Base-Base interactions energy: -61.324
where: short stacking energy: -53.391
Base-Backbone interact. energy: 0.310
local terms energy: -92.721925
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -24.545
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -13.111
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -134.556721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.556721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.556721 (E_RNA)
where:
Base-Base interactions energy: -51.848
where: short stacking energy: -51.848
Base-Backbone interact. energy: -0.008
local terms energy: -82.701220
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -8.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -143.625879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.625879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.625879 (E_RNA)
where:
Base-Base interactions energy: -65.105
where: short stacking energy: -54.273
Base-Backbone interact. energy: -0.466
local terms energy: -78.055620
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -118.884723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.884723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.884723 (E_RNA)
where:
Base-Base interactions energy: -43.956
where: short stacking energy: -38.952
Base-Backbone interact. energy: -0.066
local terms energy: -74.862307
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -3.667
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -139.757707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.757707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.757707 (E_RNA)
where:
Base-Base interactions energy: -62.648
where: short stacking energy: -60.883
Base-Backbone interact. energy: -0.091
local terms energy: -77.018180
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -12.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -112.970114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.970114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.970114 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -110.799586
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -112.970114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.970114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.970114 (E_RNA)
where:
Base-Base interactions energy: -2.170
where: short stacking energy: -2.170
Base-Backbone interact. energy: -0.000
local terms energy: -110.799586
where:
bonds (distance) C4'-P energy: -29.031
bonds (distance) P-C4' energy: -27.727
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -213.229694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.229694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.229694 (E_RNA)
where:
Base-Base interactions energy: -120.471
where: short stacking energy: -87.989
Base-Backbone interact. energy: -0.035
local terms energy: -92.723796
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -23.485
flat angles P-C4'-P energy: -14.254
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -179.889757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.889757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.889757 (E_RNA)
where:
Base-Base interactions energy: -102.357
where: short stacking energy: -64.102
Base-Backbone interact. energy: -0.015
local terms energy: -77.517191
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -13.193
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: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -159.521857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.521857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.521857 (E_RNA)
where:
Base-Base interactions energy: -76.140
where: short stacking energy: -66.496
Base-Backbone interact. energy: -1.650
local terms energy: -81.731673
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -16.217
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: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -183.380762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.380762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.380762 (E_RNA)
where:
Base-Base interactions energy: -101.025
where: short stacking energy: -67.431
Base-Backbone interact. energy: 1.573
local terms energy: -83.929187
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -13.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -162.396133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.396133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.396133 (E_RNA)
where:
Base-Base interactions energy: -75.944
where: short stacking energy: -55.914
Base-Backbone interact. energy: -0.233
local terms energy: -86.219861
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -18.250
tors. eta vs tors. theta energy: -10.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -163.580765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.580765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.580765 (E_RNA)
where:
Base-Base interactions energy: -79.048
where: short stacking energy: -78.036
Base-Backbone interact. energy: 0.704
local terms energy: -85.237092
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -128.286115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.286115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.286115 (E_RNA)
where:
Base-Base interactions energy: -65.545
where: short stacking energy: -34.838
Base-Backbone interact. energy: 0.746
local terms energy: -63.486622
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: 0.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -113.598262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.598262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.598262 (E_RNA)
where:
Base-Base interactions energy: -46.373
where: short stacking energy: -34.558
Base-Backbone interact. energy: -0.370
local terms energy: -66.855745
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -3.087
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: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -102.397419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.397419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.397419 (E_RNA)
where:
Base-Base interactions energy: -38.389
where: short stacking energy: -25.660
Base-Backbone interact. energy: -0.222
local terms energy: -63.786547
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: 4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -110.568138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.568138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.568138 (E_RNA)
where:
Base-Base interactions energy: -52.690
where: short stacking energy: -26.756
Base-Backbone interact. energy: -0.156
local terms energy: -57.722260
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -8.737
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: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -190.438957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.438957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.438957 (E_RNA)
where:
Base-Base interactions energy: -107.165
where: short stacking energy: -61.976
Base-Backbone interact. energy: -0.236
local terms energy: -83.037827
where:
bonds (distance) C4'-P energy: -22.024
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -11.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -216.830295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.830295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.830295 (E_RNA)
where:
Base-Base interactions energy: -124.195
where: short stacking energy: -74.679
Base-Backbone interact. energy: -0.130
local terms energy: -92.505893
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -17.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -190.947837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.947837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.947837 (E_RNA)
where:
Base-Base interactions energy: -97.190
where: short stacking energy: -65.460
Base-Backbone interact. energy: -1.511
local terms energy: -92.246758
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -23.387
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -16.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -177.413413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.413413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.413413 (E_RNA)
where:
Base-Base interactions energy: -95.491
where: short stacking energy: -56.764
Base-Backbone interact. energy: -0.233
local terms energy: -81.689135
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -12.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -137.967342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.967342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.967342 (E_RNA)
where:
Base-Base interactions energy: -65.342
where: short stacking energy: -65.342
Base-Backbone interact. energy: -0.091
local terms energy: -72.534235
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -12.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -156.206042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.206042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.206042 (E_RNA)
where:
Base-Base interactions energy: -76.825
where: short stacking energy: -50.746
Base-Backbone interact. energy: -0.352
local terms energy: -79.028830
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -23.931
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -6.010
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: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -141.701425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.701425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.701425 (E_RNA)
where:
Base-Base interactions energy: -65.784
where: short stacking energy: -55.527
Base-Backbone interact. energy: -0.134
local terms energy: -75.783745
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -126.114011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.114011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.114011 (E_RNA)
where:
Base-Base interactions energy: -50.051
where: short stacking energy: -45.607
Base-Backbone interact. energy: 0.417
local terms energy: -76.480082
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -7.238
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)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -118.686415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.686415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.686415 (E_RNA)
where:
Base-Base interactions energy: -51.204
where: short stacking energy: -50.559
Base-Backbone interact. energy: 0.668
local terms energy: -68.149828
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -114.996338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.996338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.996338 (E_RNA)
where:
Base-Base interactions energy: -47.632
where: short stacking energy: -37.046
Base-Backbone interact. energy: -0.474
local terms energy: -66.890961
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -205.758552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.758552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.758552 (E_RNA)
where:
Base-Base interactions energy: -121.208
where: short stacking energy: -75.963
Base-Backbone interact. energy: -0.634
local terms energy: -83.915777
where:
bonds (distance) C4'-P energy: -20.483
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -238.195334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.195334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.195334 (E_RNA)
where:
Base-Base interactions energy: -131.575
where: short stacking energy: -78.987
Base-Backbone interact. energy: -0.545
local terms energy: -106.075340
where:
bonds (distance) C4'-P energy: -23.447
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -22.722
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -22.041
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: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -209.811640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.811640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.811640 (E_RNA)
where:
Base-Base interactions energy: -115.885
where: short stacking energy: -67.233
Base-Backbone interact. energy: -0.470
local terms energy: -93.457486
where:
bonds (distance) C4'-P energy: -22.682
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -23.874
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -19.336
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: 4, replica: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -189.674800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.674800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.674800 (E_RNA)
where:
Base-Base interactions energy: -107.194
where: short stacking energy: -71.346
Base-Backbone interact. energy: -0.133
local terms energy: -82.347440
where:
bonds (distance) C4'-P energy: -22.165
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -14.463
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: 6
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -169.653992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.653992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.653992 (E_RNA)
where:
Base-Base interactions energy: -95.795
where: short stacking energy: -56.269
Base-Backbone interact. energy: -0.188
local terms energy: -73.671419
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -161.553418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.553418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.553418 (E_RNA)
where:
Base-Base interactions energy: -78.104
where: short stacking energy: -51.166
Base-Backbone interact. energy: -0.147
local terms energy: -83.302502
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -12.805
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: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -140.568266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.568266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.568266 (E_RNA)
where:
Base-Base interactions energy: -58.114
where: short stacking energy: -49.518
Base-Backbone interact. energy: -0.235
local terms energy: -82.218454
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -126.249585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.249585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.249585 (E_RNA)
where:
Base-Base interactions energy: -63.029
where: short stacking energy: -51.931
Base-Backbone interact. energy: -0.219
local terms energy: -63.001484
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -150.658677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.658677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.658677 (E_RNA)
where:
Base-Base interactions energy: -89.708
where: short stacking energy: -47.438
Base-Backbone interact. energy: 0.933
local terms energy: -61.884136
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -10.620
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: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -102.019761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.019761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.019761 (E_RNA)
where:
Base-Base interactions energy: -41.507
where: short stacking energy: -30.737
Base-Backbone interact. energy: -0.735
local terms energy: -59.777342
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: 1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -258.823059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.823059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.823059 (E_RNA)
where:
Base-Base interactions energy: -146.236
where: short stacking energy: -94.525
Base-Backbone interact. energy: -0.075
local terms energy: -112.512295
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -24.107
flat angles C4'-P-C4' energy: -20.923
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -28.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -228.992335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.992335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.992335 (E_RNA)
where:
Base-Base interactions energy: -132.948
where: short stacking energy: -77.869
Base-Backbone interact. energy: -0.028
local terms energy: -96.016881
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -20.287
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -200.882360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.882360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.882360 (E_RNA)
where:
Base-Base interactions energy: -112.286
where: short stacking energy: -76.336
Base-Backbone interact. energy: -0.559
local terms energy: -88.037337
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -20.228
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: 6
Temperature: 1.050000
Total energy: -167.263118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.263118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.263118 (E_RNA)
where:
Base-Base interactions energy: -85.503
where: short stacking energy: -58.581
Base-Backbone interact. energy: -0.577
local terms energy: -81.182955
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -200.163210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.163210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.163210 (E_RNA)
where:
Base-Base interactions energy: -123.413
where: short stacking energy: -60.131
Base-Backbone interact. energy: -0.277
local terms energy: -76.473383
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -9.973
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: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -160.422645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.422645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.422645 (E_RNA)
where:
Base-Base interactions energy: -90.482
where: short stacking energy: -47.732
Base-Backbone interact. energy: 1.588
local terms energy: -71.529330
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -9.509
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -201.335295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.335295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.335295 (E_RNA)
where:
Base-Base interactions energy: -114.419
where: short stacking energy: -70.455
Base-Backbone interact. energy: -0.141
local terms energy: -86.775573
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -19.439
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: 6
Temperature: 1.250000
Total energy: -120.248023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.248023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.248023 (E_RNA)
where:
Base-Base interactions energy: -52.482
where: short stacking energy: -47.649
Base-Backbone interact. energy: 0.293
local terms energy: -68.059092
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -121.955773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.955773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.955773 (E_RNA)
where:
Base-Base interactions energy: -45.347
where: short stacking energy: -42.436
Base-Backbone interact. energy: -0.120
local terms energy: -76.488895
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -106.713921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.713921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.713921 (E_RNA)
where:
Base-Base interactions energy: -35.751
where: short stacking energy: -34.290
Base-Backbone interact. energy: -0.254
local terms energy: -70.708574
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -255.517988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.517988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.517988 (E_RNA)
where:
Base-Base interactions energy: -151.501
where: short stacking energy: -98.443
Base-Backbone interact. energy: -0.024
local terms energy: -103.992313
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -28.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -233.090425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.090425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.090425 (E_RNA)
where:
Base-Base interactions energy: -134.761
where: short stacking energy: -82.217
Base-Backbone interact. energy: -0.325
local terms energy: -98.004125
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -21.618
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -212.742214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.742214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.742214 (E_RNA)
where:
Base-Base interactions energy: -120.222
where: short stacking energy: -68.884
Base-Backbone interact. energy: -1.736
local terms energy: -90.783933
where:
bonds (distance) C4'-P energy: -20.732
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -19.136
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -13.801
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: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -166.955804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.955804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.955804 (E_RNA)
where:
Base-Base interactions energy: -80.781
where: short stacking energy: -62.174
Base-Backbone interact. energy: 0.086
local terms energy: -86.260085
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -13.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -222.900912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.900912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.900912 (E_RNA)
where:
Base-Base interactions energy: -128.581
where: short stacking energy: -78.393
Base-Backbone interact. energy: -0.256
local terms energy: -94.063289
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -22.749
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -21.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -200.669432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.669432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.669432 (E_RNA)
where:
Base-Base interactions energy: -110.600
where: short stacking energy: -66.052
Base-Backbone interact. energy: -0.098
local terms energy: -89.971453
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -17.574
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: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -155.350319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.350319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.350319 (E_RNA)
where:
Base-Base interactions energy: -78.558
where: short stacking energy: -63.777
Base-Backbone interact. energy: -0.235
local terms energy: -76.558078
where:
bonds (distance) C4'-P energy: -21.943
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -16.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -109.871937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.871937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.871937 (E_RNA)
where:
Base-Base interactions energy: -41.741
where: short stacking energy: -36.000
Base-Backbone interact. energy: -0.540
local terms energy: -67.590995
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -1.476
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: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -104.531572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.531572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.531572 (E_RNA)
where:
Base-Base interactions energy: -42.893
where: short stacking energy: -30.081
Base-Backbone interact. energy: -0.523
local terms energy: -61.115677
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: 0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -111.347868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.347868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.347868 (E_RNA)
where:
Base-Base interactions energy: -65.542
where: short stacking energy: -31.203
Base-Backbone interact. energy: -0.352
local terms energy: -45.454656
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: 4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -236.633331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.633331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.633331 (E_RNA)
where:
Base-Base interactions energy: -132.352
where: short stacking energy: -97.728
Base-Backbone interact. energy: -0.027
local terms energy: -104.253917
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -20.786
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -25.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -245.785557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.785557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.785557 (E_RNA)
where:
Base-Base interactions energy: -145.984
where: short stacking energy: -74.961
Base-Backbone interact. energy: -0.202
local terms energy: -99.599568
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -20.617
flat angles C4'-P-C4' energy: -22.013
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -19.889
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: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -203.677362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.677362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.677362 (E_RNA)
where:
Base-Base interactions energy: -116.301
where: short stacking energy: -73.812
Base-Backbone interact. energy: -0.402
local terms energy: -86.974421
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -21.388
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -197.253559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.253559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.253559 (E_RNA)
where:
Base-Base interactions energy: -108.934
where: short stacking energy: -71.461
Base-Backbone interact. energy: -0.253
local terms energy: -88.066961
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -16.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -232.773202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.773202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.773202 (E_RNA)
where:
Base-Base interactions energy: -140.827
where: short stacking energy: -80.624
Base-Backbone interact. energy: -0.393
local terms energy: -91.552959
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -23.206
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -198.151573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.151573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.151573 (E_RNA)
where:
Base-Base interactions energy: -115.733
where: short stacking energy: -66.549
Base-Backbone interact. energy: -0.264
local terms energy: -82.155150
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -19.462
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -139.340479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.340479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.340479 (E_RNA)
where:
Base-Base interactions energy: -61.266
where: short stacking energy: -26.822
Base-Backbone interact. energy: -0.585
local terms energy: -77.489930
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -119.422769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.422769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.422769 (E_RNA)
where:
Base-Base interactions energy: -49.403
where: short stacking energy: -42.691
Base-Backbone interact. energy: -0.374
local terms energy: -69.645831
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -5.176
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: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -125.026852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.026852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.026852 (E_RNA)
where:
Base-Base interactions energy: -45.152
where: short stacking energy: -42.333
Base-Backbone interact. energy: -0.085
local terms energy: -79.789540
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -8.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -107.445834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.445834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.445834 (E_RNA)
where:
Base-Base interactions energy: -38.064
where: short stacking energy: -30.950
Base-Backbone interact. energy: -0.122
local terms energy: -69.259508
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -23.787
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -213.464623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.464623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.464623 (E_RNA)
where:
Base-Base interactions energy: -134.900
where: short stacking energy: -72.376
Base-Backbone interact. energy: -0.043
local terms energy: -78.521757
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -10.483
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: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -255.141286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.141286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.141286 (E_RNA)
where:
Base-Base interactions energy: -161.595
where: short stacking energy: -79.857
Base-Backbone interact. energy: -0.874
local terms energy: -92.671666
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -201.357561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.357561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.357561 (E_RNA)
where:
Base-Base interactions energy: -117.286
where: short stacking energy: -53.200
Base-Backbone interact. energy: 1.430
local terms energy: -85.501021
where:
bonds (distance) C4'-P energy: -22.922
bonds (distance) P-C4' energy: -22.671
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -176.394763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.394763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.394763 (E_RNA)
where:
Base-Base interactions energy: -92.741
where: short stacking energy: -58.373
Base-Backbone interact. energy: -0.242
local terms energy: -83.412249
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -209.192641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.192641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.192641 (E_RNA)
where:
Base-Base interactions energy: -126.085
where: short stacking energy: -66.821
Base-Backbone interact. energy: -0.866
local terms energy: -82.241164
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -23.421
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -13.779
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: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -202.616995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.616995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.616995 (E_RNA)
where:
Base-Base interactions energy: -116.653
where: short stacking energy: -60.039
Base-Backbone interact. energy: -1.081
local terms energy: -84.883767
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -14.106
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -144.048033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.048033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.048033 (E_RNA)
where:
Base-Base interactions energy: -75.805
where: short stacking energy: -50.360
Base-Backbone interact. energy: -0.400
local terms energy: -67.842360
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -11.529
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: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -120.321459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.321459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.321459 (E_RNA)
where:
Base-Base interactions energy: -37.671
where: short stacking energy: -35.586
Base-Backbone interact. energy: -0.163
local terms energy: -82.487466
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -19.649
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -13.813
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: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -117.284432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.284432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.284432 (E_RNA)
where:
Base-Base interactions energy: -60.118
where: short stacking energy: -34.496
Base-Backbone interact. energy: 0.501
local terms energy: -57.667247
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -17.599
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -3.570
tors. eta vs tors. theta energy: 1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -102.857307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.857307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.857307 (E_RNA)
where:
Base-Base interactions energy: -44.769
where: short stacking energy: -31.663
Base-Backbone interact. energy: -0.501
local terms energy: -57.588002
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -9.328
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: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -273.150007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.150007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.150007 (E_RNA)
where:
Base-Base interactions energy: -169.778
where: short stacking energy: -100.997
Base-Backbone interact. energy: -0.005
local terms energy: -103.366966
where:
bonds (distance) C4'-P energy: -23.252
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -25.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -222.235856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.235856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.235856 (E_RNA)
where:
Base-Base interactions energy: -139.889
where: short stacking energy: -69.629
Base-Backbone interact. energy: 0.080
local terms energy: -82.426479
where:
bonds (distance) C4'-P energy: -23.083
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -11.275
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: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -210.611802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.611802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.611802 (E_RNA)
where:
Base-Base interactions energy: -129.610
where: short stacking energy: -63.975
Base-Backbone interact. energy: -0.909
local terms energy: -80.093174
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -11.628
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: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -156.613772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.613772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.613772 (E_RNA)
where:
Base-Base interactions energy: -81.537
where: short stacking energy: -52.108
Base-Backbone interact. energy: -0.064
local terms energy: -75.012653
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -10.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -190.287576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.287576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.287576 (E_RNA)
where:
Base-Base interactions energy: -108.068
where: short stacking energy: -62.749
Base-Backbone interact. energy: -0.045
local terms energy: -82.174176
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -10.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -171.345911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.345911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.345911 (E_RNA)
where:
Base-Base interactions energy: -95.104
where: short stacking energy: -49.622
Base-Backbone interact. energy: -0.853
local terms energy: -75.389113
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -10.841
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: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -121.910655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.910655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.910655 (E_RNA)
where:
Base-Base interactions energy: -60.128
where: short stacking energy: -50.115
Base-Backbone interact. energy: 1.251
local terms energy: -63.033688
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -5.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -121.725099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.725099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.725099 (E_RNA)
where:
Base-Base interactions energy: -50.215
where: short stacking energy: -39.226
Base-Backbone interact. energy: -0.175
local terms energy: -71.334896
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -7.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -105.116252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.116252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.116252 (E_RNA)
where:
Base-Base interactions energy: -46.688
where: short stacking energy: -27.382
Base-Backbone interact. energy: 0.354
local terms energy: -58.782308
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -106.905464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.905464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.905464 (E_RNA)
where:
Base-Base interactions energy: -46.294
where: short stacking energy: -27.819
Base-Backbone interact. energy: -0.228
local terms energy: -60.383789
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -268.369782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.369782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.369782 (E_RNA)
where:
Base-Base interactions energy: -160.548
where: short stacking energy: -92.495
Base-Backbone interact. energy: -0.273
local terms energy: -107.547997
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -26.473
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: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -249.108226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.108226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.108226 (E_RNA)
where:
Base-Base interactions energy: -156.124
where: short stacking energy: -65.141
Base-Backbone interact. energy: -1.446
local terms energy: -91.538549
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -23.835
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -230.107900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.107900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.107900 (E_RNA)
where:
Base-Base interactions energy: -148.298
where: short stacking energy: -71.838
Base-Backbone interact. energy: -1.137
local terms energy: -80.672349
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -218.013711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.013711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.013711 (E_RNA)
where:
Base-Base interactions energy: -132.608
where: short stacking energy: -80.729
Base-Backbone interact. energy: -0.155
local terms energy: -85.250703
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -156.726529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.726529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.726529 (E_RNA)
where:
Base-Base interactions energy: -75.969
where: short stacking energy: -48.440
Base-Backbone interact. energy: -0.036
local terms energy: -80.720629
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -22.910
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -8.835
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: 11
Temperature: 1.150000
Total energy: -175.610474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.610474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.610474 (E_RNA)
where:
Base-Base interactions energy: -89.145
where: short stacking energy: -48.469
Base-Backbone interact. energy: -0.736
local terms energy: -85.729271
where:
bonds (distance) C4'-P energy: -23.237
bonds (distance) P-C4' energy: -25.460
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -8.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -117.014018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.014018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.014018 (E_RNA)
where:
Base-Base interactions energy: -46.879
where: short stacking energy: -42.685
Base-Backbone interact. energy: -0.360
local terms energy: -69.774609
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -125.727232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.727232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.727232 (E_RNA)
where:
Base-Base interactions energy: -51.122
where: short stacking energy: -50.452
Base-Backbone interact. energy: -0.195
local terms energy: -74.409998
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -19.251
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -13.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -104.116143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.116143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.116143 (E_RNA)
where:
Base-Base interactions energy: -44.280
where: short stacking energy: -35.011
Base-Backbone interact. energy: -0.176
local terms energy: -59.660762
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -124.184091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.184091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.184091 (E_RNA)
where:
Base-Base interactions energy: -67.119
where: short stacking energy: -40.148
Base-Backbone interact. energy: 2.542
local terms energy: -59.607123
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -1.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -274.562323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.562323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.562323 (E_RNA)
where:
Base-Base interactions energy: -174.168
where: short stacking energy: -87.781
Base-Backbone interact. energy: -0.024
local terms energy: -100.370120
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -25.739
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -23.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -256.372206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.372206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.372206 (E_RNA)
where:
Base-Base interactions energy: -151.923
where: short stacking energy: -70.647
Base-Backbone interact. energy: -2.237
local terms energy: -102.212795
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -25.401
flat angles P-C4'-P energy: -20.105
tors. eta vs tors. theta energy: -19.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -233.855766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.855766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.855766 (E_RNA)
where:
Base-Base interactions energy: -134.092
where: short stacking energy: -86.229
Base-Backbone interact. energy: -0.075
local terms energy: -99.688204
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -24.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -219.068043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.068043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.068043 (E_RNA)
where:
Base-Base interactions energy: -130.375
where: short stacking energy: -57.897
Base-Backbone interact. energy: -1.172
local terms energy: -87.520690
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -24.156
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -13.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -166.145342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.145342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.145342 (E_RNA)
where:
Base-Base interactions energy: -94.988
where: short stacking energy: -58.922
Base-Backbone interact. energy: 0.518
local terms energy: -71.675183
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -3.891
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: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -138.027406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.027406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.027406 (E_RNA)
where:
Base-Base interactions energy: -66.649
where: short stacking energy: -51.710
Base-Backbone interact. energy: 0.456
local terms energy: -71.834439
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -12.387
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: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -153.659069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.659069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.659069 (E_RNA)
where:
Base-Base interactions energy: -92.951
where: short stacking energy: -51.916
Base-Backbone interact. energy: -0.425
local terms energy: -60.283123
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -7.075
flat angles P-C4'-P energy: -16.804
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: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -122.325896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.325896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.325896 (E_RNA)
where:
Base-Base interactions energy: -43.654
where: short stacking energy: -39.452
Base-Backbone interact. energy: -0.077
local terms energy: -78.595395
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -13.839
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: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -116.038154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.038154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.038154 (E_RNA)
where:
Base-Base interactions energy: -40.220
where: short stacking energy: -38.585
Base-Backbone interact. energy: -0.232
local terms energy: -75.586316
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -9.695
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: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -105.945441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.945441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.945441 (E_RNA)
where:
Base-Base interactions energy: -45.290
where: short stacking energy: -38.376
Base-Backbone interact. energy: -0.301
local terms energy: -60.353676
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -7.880
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -1.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -273.636688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.636688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.636688 (E_RNA)
where:
Base-Base interactions energy: -177.960
where: short stacking energy: -92.468
Base-Backbone interact. energy: -0.463
local terms energy: -95.212809
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -24.330
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: 2, replica: 10
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -246.647840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.647840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.647840 (E_RNA)
where:
Base-Base interactions energy: -147.357
where: short stacking energy: -96.930
Base-Backbone interact. energy: -0.295
local terms energy: -98.996117
where:
bonds (distance) C4'-P energy: -20.251
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -25.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -230.303776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.303776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.303776 (E_RNA)
where:
Base-Base interactions energy: -142.496
where: short stacking energy: -74.048
Base-Backbone interact. energy: 0.569
local terms energy: -88.376746
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -25.777
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -201.635595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.635595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.635595 (E_RNA)
where:
Base-Base interactions energy: -118.209
where: short stacking energy: -67.755
Base-Backbone interact. energy: -0.099
local terms energy: -83.327901
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -15.293
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: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -192.958030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.958030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.958030 (E_RNA)
where:
Base-Base interactions energy: -97.207
where: short stacking energy: -71.742
Base-Backbone interact. energy: -0.235
local terms energy: -95.516243
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -19.338
flat angles C4'-P-C4' energy: -24.038
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -19.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -164.700308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.700308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.700308 (E_RNA)
where:
Base-Base interactions energy: -93.201
where: short stacking energy: -56.597
Base-Backbone interact. energy: -0.307
local terms energy: -71.192755
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -15.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -162.599155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.599155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.599155 (E_RNA)
where:
Base-Base interactions energy: -90.307
where: short stacking energy: -60.200
Base-Backbone interact. energy: -0.305
local terms energy: -71.987116
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -119.985988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.985988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.985988 (E_RNA)
where:
Base-Base interactions energy: -52.849
where: short stacking energy: -30.762
Base-Backbone interact. energy: -0.679
local terms energy: -66.457419
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -21.492
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: 1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -142.300646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.300646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.300646 (E_RNA)
where:
Base-Base interactions energy: -76.842
where: short stacking energy: -48.648
Base-Backbone interact. energy: 1.426
local terms energy: -66.885036
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -102.305256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.305256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.305256 (E_RNA)
where:
Base-Base interactions energy: -48.207
where: short stacking energy: -30.254
Base-Backbone interact. energy: -0.532
local terms energy: -53.566163
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -8.836
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: 1.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -246.944239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.944239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.944239 (E_RNA)
where:
Base-Base interactions energy: -150.785
where: short stacking energy: -94.044
Base-Backbone interact. energy: -0.531
local terms energy: -95.627895
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -22.660
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: -21.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -249.341059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.341059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.341059 (E_RNA)
where:
Base-Base interactions energy: -154.297
where: short stacking energy: -66.467
Base-Backbone interact. energy: -0.679
local terms energy: -94.364429
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -22.981
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -16.013
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: 14
Temperature: 1.000000
Total energy: -236.336921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.336921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.336921 (E_RNA)
where:
Base-Base interactions energy: -150.509
where: short stacking energy: -57.236
Base-Backbone interact. energy: 0.471
local terms energy: -86.298904
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -214.992555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.992555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.992555 (E_RNA)
where:
Base-Base interactions energy: -124.089
where: short stacking energy: -61.821
Base-Backbone interact. energy: -0.223
local terms energy: -90.680530
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -21.245
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -176.341476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.341476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.341476 (E_RNA)
where:
Base-Base interactions energy: -89.456
where: short stacking energy: -63.227
Base-Backbone interact. energy: -0.289
local terms energy: -86.596536
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -24.396
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -212.392478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.392478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.392478 (E_RNA)
where:
Base-Base interactions energy: -121.726
where: short stacking energy: -56.432
Base-Backbone interact. energy: -0.126
local terms energy: -90.540574
where:
bonds (distance) C4'-P energy: -19.676
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -118.914469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.914469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.914469 (E_RNA)
where:
Base-Base interactions energy: -53.775
where: short stacking energy: -38.252
Base-Backbone interact. energy: -0.107
local terms energy: -65.031704
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -7.484
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: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -116.123688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.123688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.123688 (E_RNA)
where:
Base-Base interactions energy: -49.790
where: short stacking energy: -45.013
Base-Backbone interact. energy: 0.220
local terms energy: -66.554092
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -6.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -149.209006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.209006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.209006 (E_RNA)
where:
Base-Base interactions energy: -99.148
where: short stacking energy: -39.106
Base-Backbone interact. energy: -0.504
local terms energy: -49.556630
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -1.562
tors. eta vs tors. theta energy: -2.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -128.355768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.355768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.355768 (E_RNA)
where:
Base-Base interactions energy: -69.618
where: short stacking energy: -32.967
Base-Backbone interact. energy: -0.701
local terms energy: -58.037096
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -0.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -259.488993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.488993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.488993 (E_RNA)
where:
Base-Base interactions energy: -159.439
where: short stacking energy: -81.165
Base-Backbone interact. energy: 2.780
local terms energy: -102.829819
where:
bonds (distance) C4'-P energy: -23.945
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -20.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -249.332974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.332974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.332974 (E_RNA)
where:
Base-Base interactions energy: -159.823
where: short stacking energy: -75.974
Base-Backbone interact. energy: 0.815
local terms energy: -90.324581
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -24.121
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -11.952
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: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -258.482043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.482043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.482043 (E_RNA)
where:
Base-Base interactions energy: -160.786
where: short stacking energy: -74.177
Base-Backbone interact. energy: -2.171
local terms energy: -95.525637
where:
bonds (distance) C4'-P energy: -20.553
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -24.285
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: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -236.309244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.309244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.309244 (E_RNA)
where:
Base-Base interactions energy: -145.823
where: short stacking energy: -71.702
Base-Backbone interact. energy: -1.078
local terms energy: -89.408391
where:
bonds (distance) C4'-P energy: -18.730
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -16.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -185.128828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.128828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.128828 (E_RNA)
where:
Base-Base interactions energy: -106.159
where: short stacking energy: -75.661
Base-Backbone interact. energy: -0.759
local terms energy: -78.211273
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -15.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -229.652285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.652285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.652285 (E_RNA)
where:
Base-Base interactions energy: -142.670
where: short stacking energy: -73.977
Base-Backbone interact. energy: -0.142
local terms energy: -86.840677
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -119.769961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.769961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.769961 (E_RNA)
where:
Base-Base interactions energy: -51.961
where: short stacking energy: -41.460
Base-Backbone interact. energy: -0.564
local terms energy: -67.244791
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -6.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -119.175730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.175730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.175730 (E_RNA)
where:
Base-Base interactions energy: -55.287
where: short stacking energy: -51.552
Base-Backbone interact. energy: 1.015
local terms energy: -64.903802
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -9.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -103.531312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.531312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.531312 (E_RNA)
where:
Base-Base interactions energy: -42.678
where: short stacking energy: -36.203
Base-Backbone interact. energy: -0.904
local terms energy: -59.949852
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -7.370
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: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -133.475299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.475299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.475299 (E_RNA)
where:
Base-Base interactions energy: -58.982
where: short stacking energy: -46.988
Base-Backbone interact. energy: -0.458
local terms energy: -74.035233
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -9.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -292.800229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.800229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.800229 (E_RNA)
where:
Base-Base interactions energy: -198.815
where: short stacking energy: -103.341
Base-Backbone interact. energy: -0.333
local terms energy: -93.651820
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -27.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -237.078763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.078763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.078763 (E_RNA)
where:
Base-Base interactions energy: -139.532
where: short stacking energy: -89.213
Base-Backbone interact. energy: -0.168
local terms energy: -97.377960
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -13.042
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: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -246.400634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.400634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.400634 (E_RNA)
where:
Base-Base interactions energy: -161.241
where: short stacking energy: -71.485
Base-Backbone interact. energy: -0.198
local terms energy: -84.961716
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -225.002654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.002654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.002654 (E_RNA)
where:
Base-Base interactions energy: -130.108
where: short stacking energy: -69.639
Base-Backbone interact. energy: -0.265
local terms energy: -94.629824
where:
bonds (distance) C4'-P energy: -20.737
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -23.091
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -17.841
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: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -220.015187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.015187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.015187 (E_RNA)
where:
Base-Base interactions energy: -124.131
where: short stacking energy: -70.973
Base-Backbone interact. energy: -1.115
local terms energy: -94.768788
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -25.277
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -170.398142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.398142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.398142 (E_RNA)
where:
Base-Base interactions energy: -88.866
where: short stacking energy: -57.761
Base-Backbone interact. energy: -0.304
local terms energy: -81.228261
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -21.172
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -8.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -124.513077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.513077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.513077 (E_RNA)
where:
Base-Base interactions energy: -52.053
where: short stacking energy: -44.130
Base-Backbone interact. energy: -0.892
local terms energy: -71.567479
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -14.982
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: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -106.587387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.587387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.587387 (E_RNA)
where:
Base-Base interactions energy: -49.790
where: short stacking energy: -36.163
Base-Backbone interact. energy: 1.024
local terms energy: -57.821202
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -106.579091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.579091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.579091 (E_RNA)
where:
Base-Base interactions energy: -50.587
where: short stacking energy: -45.321
Base-Backbone interact. energy: 1.157
local terms energy: -57.148890
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -7.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -115.593935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.593935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.593935 (E_RNA)
where:
Base-Base interactions energy: -36.332
where: short stacking energy: -36.532
Base-Backbone interact. energy: 1.584
local terms energy: -80.845958
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -25.492
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -294.289677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.289677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.289677 (E_RNA)
where:
Base-Base interactions energy: -188.327
where: short stacking energy: -91.853
Base-Backbone interact. energy: -0.507
local terms energy: -105.455968
where:
bonds (distance) C4'-P energy: -21.138
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -22.974
flat angles P-C4'-P energy: -18.247
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: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -292.200075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.200075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.200075 (E_RNA)
where:
Base-Base interactions energy: -191.684
where: short stacking energy: -89.470
Base-Backbone interact. energy: 0.027
local terms energy: -100.542915
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -9.326
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: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -258.843497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.843497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.843497 (E_RNA)
where:
Base-Base interactions energy: -158.223
where: short stacking energy: -83.521
Base-Backbone interact. energy: 0.829
local terms energy: -101.449631
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -24.442
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: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -226.083413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.083413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.083413 (E_RNA)
where:
Base-Base interactions energy: -139.297
where: short stacking energy: -69.878
Base-Backbone interact. energy: -0.614
local terms energy: -86.172102
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -12.594
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: 9
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -230.564682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.564682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.564682 (E_RNA)
where:
Base-Base interactions energy: -146.756
where: short stacking energy: -83.893
Base-Backbone interact. energy: -0.088
local terms energy: -83.721196
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -21.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -128.690892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.690892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.690892 (E_RNA)
where:
Base-Base interactions energy: -52.810
where: short stacking energy: -52.810
Base-Backbone interact. energy: -0.102
local terms energy: -75.779180
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -6.179
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: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -149.608455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.608455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.608455 (E_RNA)
where:
Base-Base interactions energy: -72.934
where: short stacking energy: -52.934
Base-Backbone interact. energy: -0.143
local terms energy: -76.531585
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -10.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -114.652407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.652407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.652407 (E_RNA)
where:
Base-Base interactions energy: -43.039
where: short stacking energy: -42.993
Base-Backbone interact. energy: -0.149
local terms energy: -71.463665
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -9.822
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: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -107.252633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.252633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.252633 (E_RNA)
where:
Base-Base interactions energy: -48.908
where: short stacking energy: -45.091
Base-Backbone interact. energy: -0.418
local terms energy: -57.926524
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -10.724
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: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -108.579635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.579635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.579635 (E_RNA)
where:
Base-Base interactions energy: -38.111
where: short stacking energy: -28.715
Base-Backbone interact. energy: -0.027
local terms energy: -70.441722
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -14.747
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: 1, replica: 10
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -308.008979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.008979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.008979 (E_RNA)
where:
Base-Base interactions energy: -198.638
where: short stacking energy: -94.995
Base-Backbone interact. energy: -0.200
local terms energy: -109.171080
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -25.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -271.225746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.225746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.225746 (E_RNA)
where:
Base-Base interactions energy: -177.581
where: short stacking energy: -91.706
Base-Backbone interact. energy: -0.282
local terms energy: -93.362477
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -22.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -267.913127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.913127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.913127 (E_RNA)
where:
Base-Base interactions energy: -168.038
where: short stacking energy: -89.019
Base-Backbone interact. energy: -0.358
local terms energy: -99.517281
where:
bonds (distance) C4'-P energy: -20.586
bonds (distance) P-C4' energy: -20.279
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -24.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -233.604381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.604381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.604381 (E_RNA)
where:
Base-Base interactions energy: -134.041
where: short stacking energy: -75.449
Base-Backbone interact. energy: -0.056
local terms energy: -99.507049
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -22.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -242.982273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.982273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.982273 (E_RNA)
where:
Base-Base interactions energy: -152.335
where: short stacking energy: -77.662
Base-Backbone interact. energy: -0.092
local terms energy: -90.555940
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -21.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -130.695010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.695010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.695010 (E_RNA)
where:
Base-Base interactions energy: -56.847
where: short stacking energy: -56.358
Base-Backbone interact. energy: -0.122
local terms energy: -73.726692
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -8.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -172.645108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.645108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.645108 (E_RNA)
where:
Base-Base interactions energy: -87.143
where: short stacking energy: -43.845
Base-Backbone interact. energy: -0.115
local terms energy: -85.387535
where:
bonds (distance) C4'-P energy: -22.102
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -7.966
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: 2
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -118.082942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.082942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.082942 (E_RNA)
where:
Base-Base interactions energy: -45.342
where: short stacking energy: -37.652
Base-Backbone interact. energy: -1.273
local terms energy: -71.467298
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -19.174
flat angles P-C4'-P energy: -11.692
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)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -120.234849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.234849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.234849 (E_RNA)
where:
Base-Base interactions energy: -62.046
where: short stacking energy: -34.951
Base-Backbone interact. energy: -0.422
local terms energy: -57.766679
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -10.115
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: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -98.580249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.580249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.580249 (E_RNA)
where:
Base-Base interactions energy: -43.325
where: short stacking energy: -26.262
Base-Backbone interact. energy: -0.149
local terms energy: -55.106212
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: 5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -299.657636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.657636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.657636 (E_RNA)
where:
Base-Base interactions energy: -199.226
where: short stacking energy: -90.460
Base-Backbone interact. energy: -1.455
local terms energy: -98.976698
where:
bonds (distance) C4'-P energy: -22.035
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -24.483
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: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -267.598482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.598482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.598482 (E_RNA)
where:
Base-Base interactions energy: -168.284
where: short stacking energy: -82.255
Base-Backbone interact. energy: -0.581
local terms energy: -98.733584
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -20.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -273.336165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.336165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.336165 (E_RNA)
where:
Base-Base interactions energy: -170.152
where: short stacking energy: -83.059
Base-Backbone interact. energy: -0.005
local terms energy: -103.179076
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -14.732
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: 4, replica: 9
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -242.636042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.636042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.636042 (E_RNA)
where:
Base-Base interactions energy: -154.066
where: short stacking energy: -74.160
Base-Backbone interact. energy: -1.580
local terms energy: -86.990323
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -20.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -222.721821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.721821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.721821 (E_RNA)
where:
Base-Base interactions energy: -140.373
where: short stacking energy: -71.974
Base-Backbone interact. energy: -0.320
local terms energy: -82.028116
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -142.068027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.068027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.068027 (E_RNA)
where:
Base-Base interactions energy: -64.455
where: short stacking energy: -42.143
Base-Backbone interact. energy: 0.066
local terms energy: -77.678590
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -9.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -122.001646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.001646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.001646 (E_RNA)
where:
Base-Base interactions energy: -48.234
where: short stacking energy: -30.969
Base-Backbone interact. energy: -0.197
local terms energy: -73.571004
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -2.753
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: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -112.265155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.265155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.265155 (E_RNA)
where:
Base-Base interactions energy: -42.621
where: short stacking energy: -39.994
Base-Backbone interact. energy: -1.797
local terms energy: -67.847260
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -23.400
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -4.483
tors. eta vs tors. theta energy: -8.514
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: 2
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -113.449845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.449845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.449845 (E_RNA)
where:
Base-Base interactions energy: -45.784
where: short stacking energy: -40.561
Base-Backbone interact. energy: 2.114
local terms energy: -69.779922
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -120.877200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.877200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.877200 (E_RNA)
where:
Base-Base interactions energy: -42.220
where: short stacking energy: -40.978
Base-Backbone interact. energy: -0.227
local terms energy: -78.430478
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -10.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -295.227444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.227444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.227444 (E_RNA)
where:
Base-Base interactions energy: -190.930
where: short stacking energy: -91.238
Base-Backbone interact. energy: -0.177
local terms energy: -104.120755
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -24.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -235.283483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.283483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.283483 (E_RNA)
where:
Base-Base interactions energy: -139.109
where: short stacking energy: -86.365
Base-Backbone interact. energy: -0.887
local terms energy: -95.287257
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -19.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -248.746153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.746153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.746153 (E_RNA)
where:
Base-Base interactions energy: -162.110
where: short stacking energy: -73.533
Base-Backbone interact. energy: -0.046
local terms energy: -86.590743
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -240.567608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.567608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.567608 (E_RNA)
where:
Base-Base interactions energy: -150.953
where: short stacking energy: -79.682
Base-Backbone interact. energy: -1.037
local terms energy: -88.577779
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -11.965
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: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -219.028476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.028476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.028476 (E_RNA)
where:
Base-Base interactions energy: -127.166
where: short stacking energy: -68.043
Base-Backbone interact. energy: -0.327
local terms energy: -91.535180
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -160.475347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.475347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.475347 (E_RNA)
where:
Base-Base interactions energy: -77.414
where: short stacking energy: -61.428
Base-Backbone interact. energy: -0.130
local terms energy: -82.931621
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -23.550
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -11.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -113.805863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.805863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.805863 (E_RNA)
where:
Base-Base interactions energy: -40.951
where: short stacking energy: -40.543
Base-Backbone interact. energy: 0.436
local terms energy: -73.291562
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -107.418224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.418224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.418224 (E_RNA)
where:
Base-Base interactions energy: -37.723
where: short stacking energy: -35.208
Base-Backbone interact. energy: -0.197
local terms energy: -69.497820
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -0.939
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: 20
Temperature: 1.300000
Total energy: -112.050251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.050251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.050251 (E_RNA)
where:
Base-Base interactions energy: -49.965
where: short stacking energy: -32.563
Base-Backbone interact. energy: 0.644
local terms energy: -62.729862
where:
bonds (distance) C4'-P energy: -19.668
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: 7.167
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: 2
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -99.983713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.983713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.983713 (E_RNA)
where:
Base-Base interactions energy: -38.937
where: short stacking energy: -37.588
Base-Backbone interact. energy: -0.253
local terms energy: -60.793407
where:
bonds (distance) C4'-P energy: -22.684
bonds (distance) P-C4' energy: -10.491
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -5.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -299.790190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.790190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.790190 (E_RNA)
where:
Base-Base interactions energy: -188.604
where: short stacking energy: -94.743
Base-Backbone interact. energy: -0.046
local terms energy: -111.139812
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -23.784
flat angles C4'-P-C4' energy: -23.440
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -29.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -275.112157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.112157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.112157 (E_RNA)
where:
Base-Base interactions energy: -180.602
where: short stacking energy: -82.619
Base-Backbone interact. energy: -0.648
local terms energy: -93.862274
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -23.143
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -18.651
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: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -215.753165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.753165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.753165 (E_RNA)
where:
Base-Base interactions energy: -127.677
where: short stacking energy: -75.531
Base-Backbone interact. energy: -0.170
local terms energy: -87.905864
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -12.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -239.879553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.879553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.879553 (E_RNA)
where:
Base-Base interactions energy: -146.964
where: short stacking energy: -66.942
Base-Backbone interact. energy: -0.362
local terms energy: -92.553905
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -226.418848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.418848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.418848 (E_RNA)
where:
Base-Base interactions energy: -138.683
where: short stacking energy: -72.285
Base-Backbone interact. energy: -0.031
local terms energy: -87.704775
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -12.594
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: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -129.425105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.425105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.425105 (E_RNA)
where:
Base-Base interactions energy: -55.005
where: short stacking energy: -49.011
Base-Backbone interact. energy: -0.080
local terms energy: -74.340808
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -9.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -129.456037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.456037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.456037 (E_RNA)
where:
Base-Base interactions energy: -52.423
where: short stacking energy: -45.681
Base-Backbone interact. energy: -0.159
local terms energy: -76.874111
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -7.828
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: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -125.394121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.394121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.394121 (E_RNA)
where:
Base-Base interactions energy: -47.387
where: short stacking energy: -45.738
Base-Backbone interact. energy: -0.101
local terms energy: -77.906367
where:
bonds (distance) C4'-P energy: -20.428
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -7.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -120.189510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.189510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.189510 (E_RNA)
where:
Base-Base interactions energy: -36.503
where: short stacking energy: -35.591
Base-Backbone interact. energy: -1.200
local terms energy: -82.486366
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -114.407000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.407000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.407000 (E_RNA)
where:
Base-Base interactions energy: -46.201
where: short stacking energy: -46.072
Base-Backbone interact. energy: -0.130
local terms energy: -68.076453
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -10.351
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: 1, replica: 10
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -306.154974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.154974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.154974 (E_RNA)
where:
Base-Base interactions energy: -197.782
where: short stacking energy: -95.517
Base-Backbone interact. energy: -0.712
local terms energy: -107.660917
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -25.476
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: -24.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -279.785967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.785967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.785967 (E_RNA)
where:
Base-Base interactions energy: -181.395
where: short stacking energy: -87.082
Base-Backbone interact. energy: -0.932
local terms energy: -97.458616
where:
bonds (distance) C4'-P energy: -21.638
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -239.957494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.957494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.957494 (E_RNA)
where:
Base-Base interactions energy: -144.191
where: short stacking energy: -83.211
Base-Backbone interact. energy: 0.373
local terms energy: -96.138745
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -20.549
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -21.267
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: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -227.877887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.877887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.877887 (E_RNA)
where:
Base-Base interactions energy: -146.882
where: short stacking energy: -75.921
Base-Backbone interact. energy: -0.418
local terms energy: -80.578190
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -13.691
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: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -233.720634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.720634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.720634 (E_RNA)
where:
Base-Base interactions energy: -145.364
where: short stacking energy: -77.601
Base-Backbone interact. energy: -1.020
local terms energy: -87.336798
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -19.025
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: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -130.545273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.545273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.545273 (E_RNA)
where:
Base-Base interactions energy: -52.681
where: short stacking energy: -46.321
Base-Backbone interact. energy: -0.107
local terms energy: -77.757739
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -8.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -122.252007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.252007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.252007 (E_RNA)
where:
Base-Base interactions energy: -45.003
where: short stacking energy: -45.003
Base-Backbone interact. energy: -0.133
local terms energy: -77.115890
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -20.401
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -10.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -126.234532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.234532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.234532 (E_RNA)
where:
Base-Base interactions energy: -59.643
where: short stacking energy: -41.386
Base-Backbone interact. energy: -1.543
local terms energy: -65.048821
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -8.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -121.345184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.345184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.345184 (E_RNA)
where:
Base-Base interactions energy: -50.130
where: short stacking energy: -45.687
Base-Backbone interact. energy: 0.035
local terms energy: -71.250198
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -2.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -98.936958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.936958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.936958 (E_RNA)
where:
Base-Base interactions energy: -32.291
where: short stacking energy: -30.294
Base-Backbone interact. energy: -0.104
local terms energy: -66.542080
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -8.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -309.168349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.168349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.168349 (E_RNA)
where:
Base-Base interactions energy: -207.146
where: short stacking energy: -102.191
Base-Backbone interact. energy: -0.610
local terms energy: -101.411894
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -22.050
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -29.584
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: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -292.552900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.552900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.552900 (E_RNA)
where:
Base-Base interactions energy: -198.300
where: short stacking energy: -68.208
Base-Backbone interact. energy: -1.161
local terms energy: -93.091218
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -18.802
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: 3, replica: 9
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -257.238569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.238569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.238569 (E_RNA)
where:
Base-Base interactions energy: -156.019
where: short stacking energy: -90.704
Base-Backbone interact. energy: 0.077
local terms energy: -101.296446
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -21.756
flat angles C4'-P-C4' energy: -21.781
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -24.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -209.027448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.027448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.027448 (E_RNA)
where:
Base-Base interactions energy: -120.688
where: short stacking energy: -67.920
Base-Backbone interact. energy: -0.187
local terms energy: -88.152019
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: -16.843
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: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -211.040021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.040021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.040021 (E_RNA)
where:
Base-Base interactions energy: -130.330
where: short stacking energy: -54.246
Base-Backbone interact. energy: -0.844
local terms energy: -79.866290
where:
bonds (distance) C4'-P energy: -18.893
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -11.174
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: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -125.720573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.720573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.720573 (E_RNA)
where:
Base-Base interactions energy: -54.926
where: short stacking energy: -51.728
Base-Backbone interact. energy: -0.145
local terms energy: -70.649893
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -9.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -119.444354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.444354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.444354 (E_RNA)
where:
Base-Base interactions energy: -55.980
where: short stacking energy: -50.464
Base-Backbone interact. energy: 0.327
local terms energy: -63.791384
where:
bonds (distance) C4'-P energy: -20.997
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -4.262
tors. eta vs tors. theta energy: -2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -103.663817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.663817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.663817 (E_RNA)
where:
Base-Base interactions energy: -47.148
where: short stacking energy: -40.021
Base-Backbone interact. energy: -0.618
local terms energy: -55.898665
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: 2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -97.930532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.930532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.930532 (E_RNA)
where:
Base-Base interactions energy: -37.763
where: short stacking energy: -25.114
Base-Backbone interact. energy: -0.371
local terms energy: -59.796765
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: 0.191
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: 23
Temperature: 1.350000
Total energy: -103.526631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.526631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.526631 (E_RNA)
where:
Base-Base interactions energy: -44.506
where: short stacking energy: -42.662
Base-Backbone interact. energy: 0.856
local terms energy: -59.877158
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -305.745908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.745908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.745908 (E_RNA)
where:
Base-Base interactions energy: -209.214
where: short stacking energy: -94.905
Base-Backbone interact. energy: 0.733
local terms energy: -97.265502
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -22.074
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: 10
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -305.829821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.829821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.829821 (E_RNA)
where:
Base-Base interactions energy: -202.971
where: short stacking energy: -100.677
Base-Backbone interact. energy: -0.547
local terms energy: -102.312375
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -29.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -273.425105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.425105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.425105 (E_RNA)
where:
Base-Base interactions energy: -175.883
where: short stacking energy: -98.143
Base-Backbone interact. energy: -0.001
local terms energy: -97.541188
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -27.440
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: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -232.096790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.096790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.096790 (E_RNA)
where:
Base-Base interactions energy: -141.889
where: short stacking energy: -80.162
Base-Backbone interact. energy: -0.702
local terms energy: -89.506683
where:
bonds (distance) C4'-P energy: -20.492
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -20.386
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -15.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -217.782258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.782258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.782258 (E_RNA)
where:
Base-Base interactions energy: -133.572
where: short stacking energy: -66.456
Base-Backbone interact. energy: 0.074
local terms energy: -84.283658
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -157.372797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.372797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.372797 (E_RNA)
where:
Base-Base interactions energy: -77.931
where: short stacking energy: -41.782
Base-Backbone interact. energy: -0.076
local terms energy: -79.365780
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -132.972101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.972101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.972101 (E_RNA)
where:
Base-Base interactions energy: -58.114
where: short stacking energy: -39.095
Base-Backbone interact. energy: -0.177
local terms energy: -74.680933
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -18.950
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -6.750
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: 24
Temperature: 1.250000
Total energy: -124.349812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.349812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.349812 (E_RNA)
where:
Base-Base interactions energy: -60.725
where: short stacking energy: -39.740
Base-Backbone interact. energy: 0.999
local terms energy: -64.623544
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -108.240407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.240407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.240407 (E_RNA)
where:
Base-Base interactions energy: -41.752
where: short stacking energy: -38.674
Base-Backbone interact. energy: -0.001
local terms energy: -66.487002
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -4.001
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: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -109.256173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.256173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.256173 (E_RNA)
where:
Base-Base interactions energy: -43.963
where: short stacking energy: -43.254
Base-Backbone interact. energy: 0.932
local terms energy: -66.225501
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -8.702
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: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -317.383751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.383751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.383751 (E_RNA)
where:
Base-Base interactions energy: -217.010
where: short stacking energy: -92.858
Base-Backbone interact. energy: -0.509
local terms energy: -99.864403
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -24.968
flat angles P-C4'-P energy: -13.910
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: 10
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -303.572225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.572225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.572225 (E_RNA)
where:
Base-Base interactions energy: -209.726
where: short stacking energy: -96.889
Base-Backbone interact. energy: -0.732
local terms energy: -93.114638
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -26.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -295.478210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.478210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.478210 (E_RNA)
where:
Base-Base interactions energy: -186.699
where: short stacking energy: -95.210
Base-Backbone interact. energy: -0.002
local terms energy: -108.776787
where:
bonds (distance) C4'-P energy: -22.681
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -22.402
flat angles P-C4'-P energy: -19.823
tors. eta vs tors. theta energy: -24.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -215.836122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.836122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.836122 (E_RNA)
where:
Base-Base interactions energy: -135.311
where: short stacking energy: -62.012
Base-Backbone interact. energy: -0.754
local terms energy: -79.771743
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -7.890
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: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -240.594130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.594130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.594130 (E_RNA)
where:
Base-Base interactions energy: -147.057
where: short stacking energy: -75.710
Base-Backbone interact. energy: -0.455
local terms energy: -93.082410
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -24.165
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -22.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -128.077214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.077214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.077214 (E_RNA)
where:
Base-Base interactions energy: -54.682
where: short stacking energy: -50.417
Base-Backbone interact. energy: -0.159
local terms energy: -73.236221
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -8.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -150.794085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.794085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.794085 (E_RNA)
where:
Base-Base interactions energy: -86.963
where: short stacking energy: -54.073
Base-Backbone interact. energy: -0.577
local terms energy: -63.253374
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -3.514
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: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -105.190140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.190140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.190140 (E_RNA)
where:
Base-Base interactions energy: -36.468
where: short stacking energy: -32.812
Base-Backbone interact. energy: -0.454
local terms energy: -68.267382
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -107.155758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.155758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.155758 (E_RNA)
where:
Base-Base interactions energy: -40.566
where: short stacking energy: -35.635
Base-Backbone interact. energy: -0.315
local terms energy: -66.274998
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -1.692
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: 10, replica: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -98.385105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.385105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.385105 (E_RNA)
where:
Base-Base interactions energy: -24.052
where: short stacking energy: -21.530
Base-Backbone interact. energy: -1.209
local terms energy: -73.124211
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: 0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -310.632659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.632659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.632659 (E_RNA)
where:
Base-Base interactions energy: -206.878
where: short stacking energy: -88.526
Base-Backbone interact. energy: -1.015
local terms energy: -102.739793
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -15.975
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: 2, replica: 10
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -307.177853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.177853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.177853 (E_RNA)
where:
Base-Base interactions energy: -199.440
where: short stacking energy: -96.615
Base-Backbone interact. energy: -0.099
local terms energy: -107.638634
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -24.207
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -28.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -306.577353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.577353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.577353 (E_RNA)
where:
Base-Base interactions energy: -208.581
where: short stacking energy: -97.182
Base-Backbone interact. energy: -0.043
local terms energy: -97.953142
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -21.966
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -24.981
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: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -235.824822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.824822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.824822 (E_RNA)
where:
Base-Base interactions energy: -150.005
where: short stacking energy: -84.019
Base-Backbone interact. energy: -0.159
local terms energy: -85.661254
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -206.447704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.447704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.447704 (E_RNA)
where:
Base-Base interactions energy: -123.241
where: short stacking energy: -59.690
Base-Backbone interact. energy: -0.575
local terms energy: -82.631756
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -17.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -147.862183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.862183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.862183 (E_RNA)
where:
Base-Base interactions energy: -68.146
where: short stacking energy: -59.385
Base-Backbone interact. energy: -1.869
local terms energy: -77.846580
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -121.640312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.640312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.640312 (E_RNA)
where:
Base-Base interactions energy: -48.976
where: short stacking energy: -45.193
Base-Backbone interact. energy: -1.573
local terms energy: -71.091160
where:
bonds (distance) C4'-P energy: -21.078
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -162.800399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.800399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.800399 (E_RNA)
where:
Base-Base interactions energy: -94.090
where: short stacking energy: -46.891
Base-Backbone interact. energy: 1.629
local terms energy: -70.340008
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -24.752
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -7.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -116.631896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.631896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.631896 (E_RNA)
where:
Base-Base interactions energy: -48.837
where: short stacking energy: -49.037
Base-Backbone interact. energy: -0.208
local terms energy: -67.586780
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -8.371
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: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -104.278911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.278911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.278911 (E_RNA)
where:
Base-Base interactions energy: -34.812
where: short stacking energy: -33.661
Base-Backbone interact. energy: -0.538
local terms energy: -68.929346
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -310.871357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.871357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.871357 (E_RNA)
where:
Base-Base interactions energy: -204.687
where: short stacking energy: -84.141
Base-Backbone interact. energy: -0.164
local terms energy: -106.020321
where:
bonds (distance) C4'-P energy: -19.693
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -23.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -303.766153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.766153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.766153 (E_RNA)
where:
Base-Base interactions energy: -202.640
where: short stacking energy: -94.502
Base-Backbone interact. energy: -0.197
local terms energy: -100.928581
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -23.061
flat angles P-C4'-P energy: -16.474
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: 3, replica: 9
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -276.659120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.659120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.659120 (E_RNA)
where:
Base-Base interactions energy: -185.477
where: short stacking energy: -84.279
Base-Backbone interact. energy: 2.530
local terms energy: -93.711386
where:
bonds (distance) C4'-P energy: -20.931
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -227.558292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.558292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.558292 (E_RNA)
where:
Base-Base interactions energy: -142.889
where: short stacking energy: -76.865
Base-Backbone interact. energy: -0.504
local terms energy: -84.165364
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -20.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -231.029329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.029329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.029329 (E_RNA)
where:
Base-Base interactions energy: -135.911
where: short stacking energy: -81.661
Base-Backbone interact. energy: -0.473
local terms energy: -94.645801
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -19.149
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -19.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -155.095544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.095544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.095544 (E_RNA)
where:
Base-Base interactions energy: -82.594
where: short stacking energy: -47.361
Base-Backbone interact. energy: -0.399
local terms energy: -72.102113
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -6.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -140.036562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.036562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.036562 (E_RNA)
where:
Base-Base interactions energy: -61.926
where: short stacking energy: -45.796
Base-Backbone interact. energy: -0.500
local terms energy: -77.609765
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -10.077
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: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -176.423923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.423923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.423923 (E_RNA)
where:
Base-Base interactions energy: -104.195
where: short stacking energy: -56.143
Base-Backbone interact. energy: -0.101
local terms energy: -72.127801
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -113.914483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.914483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.914483 (E_RNA)
where:
Base-Base interactions energy: -48.986
where: short stacking energy: -33.625
Base-Backbone interact. energy: 0.176
local terms energy: -65.105390
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -107.080254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.080254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.080254 (E_RNA)
where:
Base-Base interactions energy: -26.284
where: short stacking energy: -26.284
Base-Backbone interact. energy: -0.238
local terms energy: -80.558453
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -318.750119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.750119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.750119 (E_RNA)
where:
Base-Base interactions energy: -217.914
where: short stacking energy: -86.723
Base-Backbone interact. energy: -0.433
local terms energy: -100.402698
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -22.741
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -22.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -311.595408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.595408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.595408 (E_RNA)
where:
Base-Base interactions energy: -211.407
where: short stacking energy: -92.610
Base-Backbone interact. energy: -0.942
local terms energy: -99.246260
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -24.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -287.876376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.876376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.876376 (E_RNA)
where:
Base-Base interactions energy: -188.830
where: short stacking energy: -86.793
Base-Backbone interact. energy: -0.102
local terms energy: -98.944825
where:
bonds (distance) C4'-P energy: -23.248
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -23.255
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -22.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -247.731656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.731656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.731656 (E_RNA)
where:
Base-Base interactions energy: -154.547
where: short stacking energy: -85.170
Base-Backbone interact. energy: -0.041
local terms energy: -93.142978
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -22.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -207.583541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.583541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.583541 (E_RNA)
where:
Base-Base interactions energy: -119.153
where: short stacking energy: -78.129
Base-Backbone interact. energy: -0.550
local terms energy: -87.880875
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -11.927
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: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -156.038495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.038495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.038495 (E_RNA)
where:
Base-Base interactions energy: -85.975
where: short stacking energy: -50.578
Base-Backbone interact. energy: 0.145
local terms energy: -70.208853
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -7.413
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: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -164.144976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.144976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.144976 (E_RNA)
where:
Base-Base interactions energy: -81.532
where: short stacking energy: -52.322
Base-Backbone interact. energy: -1.431
local terms energy: -81.181733
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -10.458
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: 8, replica: 2
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -124.151831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.151831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.151831 (E_RNA)
where:
Base-Base interactions energy: -51.391
where: short stacking energy: -51.223
Base-Backbone interact. energy: -0.123
local terms energy: -72.637543
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -24.389
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -7.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -112.115600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.115600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.115600 (E_RNA)
where:
Base-Base interactions energy: -43.682
where: short stacking energy: -42.376
Base-Backbone interact. energy: -0.370
local terms energy: -68.063265
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -22.452
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -113.371907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.371907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.371907 (E_RNA)
where:
Base-Base interactions energy: -46.530
where: short stacking energy: -46.530
Base-Backbone interact. energy: -0.148
local terms energy: -66.693206
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -11.776
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: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -316.463969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.463969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.463969 (E_RNA)
where:
Base-Base interactions energy: -205.822
where: short stacking energy: -89.264
Base-Backbone interact. energy: -1.305
local terms energy: -109.337000
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -23.865
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: -21.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -282.501076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.501076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.501076 (E_RNA)
where:
Base-Base interactions energy: -174.032
where: short stacking energy: -87.691
Base-Backbone interact. energy: -1.008
local terms energy: -107.461774
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -28.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -306.707672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.707672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.707672 (E_RNA)
where:
Base-Base interactions energy: -207.110
where: short stacking energy: -94.412
Base-Backbone interact. energy: -1.512
local terms energy: -98.086272
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -27.251
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: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -236.109056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.109056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.109056 (E_RNA)
where:
Base-Base interactions energy: -136.962
where: short stacking energy: -76.298
Base-Backbone interact. energy: -0.372
local terms energy: -98.775274
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -22.226
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -17.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -189.011532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.011532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.011532 (E_RNA)
where:
Base-Base interactions energy: -112.753
where: short stacking energy: -58.709
Base-Backbone interact. energy: -0.052
local terms energy: -76.206359
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -10.914
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: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -178.382318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.382318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.382318 (E_RNA)
where:
Base-Base interactions energy: -92.944
where: short stacking energy: -61.624
Base-Backbone interact. energy: -0.227
local terms energy: -85.211519
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -125.946225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.946225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.946225 (E_RNA)
where:
Base-Base interactions energy: -68.686
where: short stacking energy: -32.360
Base-Backbone interact. energy: 1.867
local terms energy: -59.127852
where:
bonds (distance) C4'-P energy: -19.291
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: 0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -120.204761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.204761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.204761 (E_RNA)
where:
Base-Base interactions energy: -46.014
where: short stacking energy: -41.829
Base-Backbone interact. energy: -0.187
local terms energy: -74.003795
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -105.419189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.419189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.419189 (E_RNA)
where:
Base-Base interactions energy: -35.862
where: short stacking energy: -31.312
Base-Backbone interact. energy: 0.045
local terms energy: -69.602171
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -2.005
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: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -105.580810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.580810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.580810 (E_RNA)
where:
Base-Base interactions energy: -42.674
where: short stacking energy: -36.620
Base-Backbone interact. energy: 1.247
local terms energy: -64.153939
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -309.473554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.473554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.473554 (E_RNA)
where:
Base-Base interactions energy: -219.538
where: short stacking energy: -95.312
Base-Backbone interact. energy: -0.391
local terms energy: -89.544372
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -14.565
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: 2, replica: 9
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -265.489611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.489611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.489611 (E_RNA)
where:
Base-Base interactions energy: -156.645
where: short stacking energy: -79.915
Base-Backbone interact. energy: -0.792
local terms energy: -108.052464
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -24.383
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: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -309.613208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.613208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.613208 (E_RNA)
where:
Base-Base interactions energy: -198.143
where: short stacking energy: -96.605
Base-Backbone interact. energy: 0.169
local terms energy: -111.638810
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -21.710
flat angles C4'-P-C4' energy: -24.982
flat angles P-C4'-P energy: -17.752
tors. eta vs tors. theta energy: -25.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -253.372976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.372976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.372976 (E_RNA)
where:
Base-Base interactions energy: -157.261
where: short stacking energy: -77.451
Base-Backbone interact. energy: -0.394
local terms energy: -95.717399
where:
bonds (distance) C4'-P energy: -23.765
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -21.495
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: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -213.791608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.791608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.791608 (E_RNA)
where:
Base-Base interactions energy: -131.651
where: short stacking energy: -64.656
Base-Backbone interact. energy: -0.973
local terms energy: -81.166807
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -19.888
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -184.428683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.428683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.428683 (E_RNA)
where:
Base-Base interactions energy: -99.201
where: short stacking energy: -49.795
Base-Backbone interact. energy: -0.515
local terms energy: -84.713081
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -117.635485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.635485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.635485 (E_RNA)
where:
Base-Base interactions energy: -42.302
where: short stacking energy: -34.376
Base-Backbone interact. energy: 0.099
local terms energy: -75.432723
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -22.361
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -131.194077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.194077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.194077 (E_RNA)
where:
Base-Base interactions energy: -57.898
where: short stacking energy: -45.705
Base-Backbone interact. energy: -0.412
local terms energy: -72.884026
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -102.638487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.638487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.638487 (E_RNA)
where:
Base-Base interactions energy: -40.211
where: short stacking energy: -33.757
Base-Backbone interact. energy: -0.274
local terms energy: -62.153460
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -24.808
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: -2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -96.554908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.554908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.554908 (E_RNA)
where:
Base-Base interactions energy: -36.248
where: short stacking energy: -33.128
Base-Backbone interact. energy: -0.378
local terms energy: -59.929007
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -8.441
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -306.843039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.843039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.843039 (E_RNA)
where:
Base-Base interactions energy: -216.637
where: short stacking energy: -82.565
Base-Backbone interact. energy: -0.118
local terms energy: -90.088478
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -23.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -332.623908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.623908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.623908 (E_RNA)
where:
Base-Base interactions energy: -217.424
where: short stacking energy: -102.650
Base-Backbone interact. energy: -0.834
local terms energy: -114.365990
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -20.971
flat angles C4'-P-C4' energy: -24.527
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: -31.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -260.786193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.786193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.786193 (E_RNA)
where:
Base-Base interactions energy: -150.904
where: short stacking energy: -90.211
Base-Backbone interact. energy: -0.008
local terms energy: -109.874764
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: -32.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -264.879784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.879784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.879784 (E_RNA)
where:
Base-Base interactions energy: -176.655
where: short stacking energy: -77.766
Base-Backbone interact. energy: 0.143
local terms energy: -88.367440
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -22.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -240.857119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.857119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.857119 (E_RNA)
where:
Base-Base interactions energy: -144.505
where: short stacking energy: -72.222
Base-Backbone interact. energy: -1.185
local terms energy: -95.167230
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -21.673
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -18.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -200.375662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.375662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.375662 (E_RNA)
where:
Base-Base interactions energy: -114.239
where: short stacking energy: -64.771
Base-Backbone interact. energy: -0.089
local terms energy: -86.047653
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -13.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -138.474177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.474177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.474177 (E_RNA)
where:
Base-Base interactions energy: -64.331
where: short stacking energy: -63.446
Base-Backbone interact. energy: -0.009
local terms energy: -74.134746
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -126.938353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.938353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.938353 (E_RNA)
where:
Base-Base interactions energy: -57.857
where: short stacking energy: -37.991
Base-Backbone interact. energy: -0.116
local terms energy: -68.965579
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -19.556
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -7.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -107.342608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.342608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.342608 (E_RNA)
where:
Base-Base interactions energy: -39.439
where: short stacking energy: -36.893
Base-Backbone interact. energy: -0.401
local terms energy: -67.502257
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -108.449652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.449652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.449652 (E_RNA)
where:
Base-Base interactions energy: -46.361
where: short stacking energy: -40.751
Base-Backbone interact. energy: -0.642
local terms energy: -61.446877
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -2.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -312.460276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.460276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.460276 (E_RNA)
where:
Base-Base interactions energy: -205.709
where: short stacking energy: -87.592
Base-Backbone interact. energy: -1.467
local terms energy: -105.284387
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -25.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -318.070947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.070947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.070947 (E_RNA)
where:
Base-Base interactions energy: -212.124
where: short stacking energy: -96.683
Base-Backbone interact. energy: -0.138
local terms energy: -105.808291
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -29.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -283.864126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.864126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.864126 (E_RNA)
where:
Base-Base interactions energy: -182.718
where: short stacking energy: -73.922
Base-Backbone interact. energy: -1.345
local terms energy: -99.801586
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -13.521
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: 4, replica: 9
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -234.509423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.509423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.509423 (E_RNA)
where:
Base-Base interactions energy: -137.914
where: short stacking energy: -80.359
Base-Backbone interact. energy: -0.032
local terms energy: -96.563185
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -19.951
flat angles P-C4'-P energy: -13.353
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: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -227.578993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.578993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.578993 (E_RNA)
where:
Base-Base interactions energy: -136.840
where: short stacking energy: -46.284
Base-Backbone interact. energy: -2.566
local terms energy: -88.172682
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -22.248
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -15.778
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: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -199.679930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.679930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.679930 (E_RNA)
where:
Base-Base interactions energy: -124.460
where: short stacking energy: -52.883
Base-Backbone interact. energy: -0.376
local terms energy: -74.843245
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -10.351
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: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -151.156367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.156367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.156367 (E_RNA)
where:
Base-Base interactions energy: -65.940
where: short stacking energy: -49.900
Base-Backbone interact. energy: -0.739
local terms energy: -84.477608
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -21.186
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -106.318553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.318553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.318553 (E_RNA)
where:
Base-Base interactions energy: -41.119
where: short stacking energy: -30.497
Base-Backbone interact. energy: 0.251
local terms energy: -65.449863
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -111.320150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.320150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.320150 (E_RNA)
where:
Base-Base interactions energy: -37.152
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.009
local terms energy: -74.158601
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -11.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -105.815129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.815129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.815129 (E_RNA)
where:
Base-Base interactions energy: -40.208
where: short stacking energy: -34.019
Base-Backbone interact. energy: 0.196
local terms energy: -65.802919
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -20.941
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: 2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -305.280018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.280018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.280018 (E_RNA)
where:
Base-Base interactions energy: -206.673
where: short stacking energy: -76.885
Base-Backbone interact. energy: -1.399
local terms energy: -97.207737
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -22.675
flat angles C4'-P-C4' energy: -22.808
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -318.532518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.532518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.532518 (E_RNA)
where:
Base-Base interactions energy: -208.333
where: short stacking energy: -93.282
Base-Backbone interact. energy: -0.254
local terms energy: -109.945855
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -29.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -286.904823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.904823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.904823 (E_RNA)
where:
Base-Base interactions energy: -181.441
where: short stacking energy: -84.820
Base-Backbone interact. energy: -0.415
local terms energy: -105.049217
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -25.104
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -27.208
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: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -225.572752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.572752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.572752 (E_RNA)
where:
Base-Base interactions energy: -132.697
where: short stacking energy: -59.044
Base-Backbone interact. energy: -0.879
local terms energy: -91.997503
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -21.699
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -230.054064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.054064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.054064 (E_RNA)
where:
Base-Base interactions energy: -136.956
where: short stacking energy: -61.397
Base-Backbone interact. energy: -0.137
local terms energy: -92.961742
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -16.748
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: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -169.152699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.152699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.152699 (E_RNA)
where:
Base-Base interactions energy: -75.166
where: short stacking energy: -61.305
Base-Backbone interact. energy: -0.213
local terms energy: -93.772823
where:
bonds (distance) C4'-P energy: -21.066
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -158.277972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.277972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.277972 (E_RNA)
where:
Base-Base interactions energy: -96.253
where: short stacking energy: -50.080
Base-Backbone interact. energy: -0.433
local terms energy: -61.591476
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -119.479682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.479682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.479682 (E_RNA)
where:
Base-Base interactions energy: -40.092
where: short stacking energy: -40.092
Base-Backbone interact. energy: -0.175
local terms energy: -79.212659
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -6.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -97.867383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.867383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.867383 (E_RNA)
where:
Base-Base interactions energy: -37.077
where: short stacking energy: -32.844
Base-Backbone interact. energy: 1.179
local terms energy: -61.969951
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -24.688
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: 0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -149.558735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.558735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.558735 (E_RNA)
where:
Base-Base interactions energy: -85.720
where: short stacking energy: -53.299
Base-Backbone interact. energy: -0.745
local terms energy: -63.093655
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -9.863
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: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -308.746115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.746115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.746115 (E_RNA)
where:
Base-Base interactions energy: -203.690
where: short stacking energy: -75.954
Base-Backbone interact. energy: -1.504
local terms energy: -103.551842
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -19.140
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -16.724
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: 2, replica: 10
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -300.399266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.399266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.399266 (E_RNA)
where:
Base-Base interactions energy: -195.756
where: short stacking energy: -91.186
Base-Backbone interact. energy: -0.104
local terms energy: -104.538984
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -23.950
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: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -253.658730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.658730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.658730 (E_RNA)
where:
Base-Base interactions energy: -160.448
where: short stacking energy: -67.325
Base-Backbone interact. energy: -1.578
local terms energy: -91.632647
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -21.714
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: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -225.909626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.909626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.909626 (E_RNA)
where:
Base-Base interactions energy: -137.796
where: short stacking energy: -77.725
Base-Backbone interact. energy: -0.341
local terms energy: -87.772954
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -229.943503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.943503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.943503 (E_RNA)
where:
Base-Base interactions energy: -146.731
where: short stacking energy: -83.159
Base-Backbone interact. energy: -0.252
local terms energy: -82.960361
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -21.522
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -21.553
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: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -131.189021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.189021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.189021 (E_RNA)
where:
Base-Base interactions energy: -69.656
where: short stacking energy: -51.708
Base-Backbone interact. energy: -0.245
local terms energy: -61.287326
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -147.273929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.273929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.273929 (E_RNA)
where:
Base-Base interactions energy: -68.881
where: short stacking energy: -53.516
Base-Backbone interact. energy: -0.185
local terms energy: -78.208616
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -162.674177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.674177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.674177 (E_RNA)
where:
Base-Base interactions energy: -78.357
where: short stacking energy: -47.790
Base-Backbone interact. energy: -0.281
local terms energy: -84.036013
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -21.426
flat angles P-C4'-P energy: -12.679
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: 9, replica: 2
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -111.132149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.132149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.132149 (E_RNA)
where:
Base-Base interactions energy: -42.155
where: short stacking energy: -40.239
Base-Backbone interact. energy: -0.180
local terms energy: -68.796530
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -10.287
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: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -123.809122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.809122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.809122 (E_RNA)
where:
Base-Base interactions energy: -63.789
where: short stacking energy: -31.821
Base-Backbone interact. energy: -0.102
local terms energy: -59.918495
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -2.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -308.249654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.249654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.249654 (E_RNA)
where:
Base-Base interactions energy: -208.754
where: short stacking energy: -88.076
Base-Backbone interact. energy: -0.229
local terms energy: -99.266560
where:
bonds (distance) C4'-P energy: -22.359
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -20.125
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -22.433
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: 10
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -300.282621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.282621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.282621 (E_RNA)
where:
Base-Base interactions energy: -199.274
where: short stacking energy: -103.441
Base-Backbone interact. energy: -0.200
local terms energy: -100.808922
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -16.205
tors. eta vs tors. theta energy: -32.498
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: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -272.813929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.813929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.813929 (E_RNA)
where:
Base-Base interactions energy: -172.107
where: short stacking energy: -85.150
Base-Backbone interact. energy: -0.295
local terms energy: -100.411022
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -24.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -236.482738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.482738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.482738 (E_RNA)
where:
Base-Base interactions energy: -142.802
where: short stacking energy: -67.312
Base-Backbone interact. energy: -0.046
local terms energy: -93.634846
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -23.423
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -17.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -225.674434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.674434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.674434 (E_RNA)
where:
Base-Base interactions energy: -137.918
where: short stacking energy: -67.621
Base-Backbone interact. energy: -0.791
local terms energy: -86.965492
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -180.617527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.617527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.617527 (E_RNA)
where:
Base-Base interactions energy: -103.497
where: short stacking energy: -63.508
Base-Backbone interact. energy: -1.505
local terms energy: -75.615363
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -13.532
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: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -135.504318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.504318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.504318 (E_RNA)
where:
Base-Base interactions energy: -65.302
where: short stacking energy: -51.279
Base-Backbone interact. energy: -0.635
local terms energy: -69.568070
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -6.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -134.275248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.275248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.275248 (E_RNA)
where:
Base-Base interactions energy: -53.446
where: short stacking energy: -33.851
Base-Backbone interact. energy: -0.156
local terms energy: -80.672930
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -9.361
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: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -144.614711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.614711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.614711 (E_RNA)
where:
Base-Base interactions energy: -77.403
where: short stacking energy: -52.149
Base-Backbone interact. energy: -0.256
local terms energy: -66.955713
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: 1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -99.223061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.223061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.223061 (E_RNA)
where:
Base-Base interactions energy: -40.702
where: short stacking energy: -31.655
Base-Backbone interact. energy: -0.537
local terms energy: -57.984235
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: 4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -322.625183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.625183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.625183 (E_RNA)
where:
Base-Base interactions energy: -207.594
where: short stacking energy: -104.495
Base-Backbone interact. energy: -0.380
local terms energy: -114.651478
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -22.706
flat angles C4'-P-C4' energy: -22.726
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -31.710
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: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -296.891975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.891975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.891975 (E_RNA)
where:
Base-Base interactions energy: -191.118
where: short stacking energy: -91.388
Base-Backbone interact. energy: -0.804
local terms energy: -104.970190
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -18.805
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: 3, replica: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -255.403193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.403193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.403193 (E_RNA)
where:
Base-Base interactions energy: -160.338
where: short stacking energy: -86.532
Base-Backbone interact. energy: -0.375
local terms energy: -94.690834
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -19.047
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -267.400932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.400932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.400932 (E_RNA)
where:
Base-Base interactions energy: -168.652
where: short stacking energy: -84.064
Base-Backbone interact. energy: -0.856
local terms energy: -97.893091
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -17.283
tors. eta vs tors. theta energy: -26.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -179.778056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.778056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.778056 (E_RNA)
where:
Base-Base interactions energy: -92.237
where: short stacking energy: -62.480
Base-Backbone interact. energy: -0.046
local terms energy: -87.495201
where:
bonds (distance) C4'-P energy: -19.803
bonds (distance) P-C4' energy: -19.787
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -12.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -197.447635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.447635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.447635 (E_RNA)
where:
Base-Base interactions energy: -103.290
where: short stacking energy: -73.427
Base-Backbone interact. energy: -0.410
local terms energy: -93.747707
where:
bonds (distance) C4'-P energy: -20.825
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -17.334
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: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -131.221941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.221941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.221941 (E_RNA)
where:
Base-Base interactions energy: -66.061
where: short stacking energy: -38.573
Base-Backbone interact. energy: -0.179
local terms energy: -64.982666
where:
bonds (distance) C4'-P energy: -21.227
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: 1.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -121.228163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.228163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.228163 (E_RNA)
where:
Base-Base interactions energy: -48.469
where: short stacking energy: -46.346
Base-Backbone interact. energy: -0.145
local terms energy: -72.613935
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -108.438674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.438674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.438674 (E_RNA)
where:
Base-Base interactions energy: -49.337
where: short stacking energy: -33.565
Base-Backbone interact. energy: -0.747
local terms energy: -58.354749
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -14.135
tors. eta vs tors. theta energy: 4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -94.667132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.667132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.667132 (E_RNA)
where:
Base-Base interactions energy: -28.753
where: short stacking energy: -24.391
Base-Backbone interact. energy: -0.238
local terms energy: -65.676047
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -307.263136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.263136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.263136 (E_RNA)
where:
Base-Base interactions energy: -194.716
where: short stacking energy: -103.564
Base-Backbone interact. energy: -0.572
local terms energy: -111.975123
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -15.470
tors. eta vs tors. theta energy: -31.730
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: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -307.422414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.422414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.422414 (E_RNA)
where:
Base-Base interactions energy: -209.605
where: short stacking energy: -98.892
Base-Backbone interact. energy: -1.127
local terms energy: -96.690517
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -21.740
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -26.459
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: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -260.455522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.455522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.455522 (E_RNA)
where:
Base-Base interactions energy: -162.109
where: short stacking energy: -85.290
Base-Backbone interact. energy: -0.172
local terms energy: -98.174367
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -25.638
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -250.874066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.874066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.874066 (E_RNA)
where:
Base-Base interactions energy: -151.424
where: short stacking energy: -76.006
Base-Backbone interact. energy: -0.587
local terms energy: -98.862201
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -22.657
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -24.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -155.599949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.599949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.599949 (E_RNA)
where:
Base-Base interactions energy: -77.432
where: short stacking energy: -50.279
Base-Backbone interact. energy: -0.046
local terms energy: -78.121767
where:
bonds (distance) C4'-P energy: -24.119
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -226.934343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.934343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.934343 (E_RNA)
where:
Base-Base interactions energy: -135.342
where: short stacking energy: -67.485
Base-Backbone interact. energy: -0.674
local terms energy: -90.918056
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -13.478
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: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -121.031023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.031023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.031023 (E_RNA)
where:
Base-Base interactions energy: -51.584
where: short stacking energy: -43.898
Base-Backbone interact. energy: -0.302
local terms energy: -69.144538
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -118.877613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.877613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.877613 (E_RNA)
where:
Base-Base interactions energy: -52.353
where: short stacking energy: -34.567
Base-Backbone interact. energy: -1.303
local terms energy: -65.220870
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -21.238
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -1.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -104.541867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.541867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.541867 (E_RNA)
where:
Base-Base interactions energy: -36.086
where: short stacking energy: -34.124
Base-Backbone interact. energy: 0.773
local terms energy: -69.228607
where:
bonds (distance) C4'-P energy: -20.693
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -13.548
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: 10, replica: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -99.589312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.589312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.589312 (E_RNA)
where:
Base-Base interactions energy: -36.793
where: short stacking energy: -26.472
Base-Backbone interact. energy: 3.456
local terms energy: -66.253138
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: 1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -314.389422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.389422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.389422 (E_RNA)
where:
Base-Base interactions energy: -209.916
where: short stacking energy: -102.904
Base-Backbone interact. energy: -0.500
local terms energy: -103.972979
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -21.252
flat angles P-C4'-P energy: -17.811
tors. eta vs tors. theta energy: -29.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -305.683611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.683611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.683611 (E_RNA)
where:
Base-Base interactions energy: -205.463
where: short stacking energy: -88.503
Base-Backbone interact. energy: 0.537
local terms energy: -100.757918
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -23.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -270.445299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.445299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.445299 (E_RNA)
where:
Base-Base interactions energy: -172.928
where: short stacking energy: -91.097
Base-Backbone interact. energy: -1.467
local terms energy: -96.049841
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -24.533
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: 4, replica: 9
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -252.925718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.925718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.925718 (E_RNA)
where:
Base-Base interactions energy: -149.901
where: short stacking energy: -65.257
Base-Backbone interact. energy: -0.938
local terms energy: -102.087013
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -20.352
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -18.168
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: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -250.704557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.704557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.704557 (E_RNA)
where:
Base-Base interactions energy: -166.229
where: short stacking energy: -87.632
Base-Backbone interact. energy: -0.060
local terms energy: -84.414873
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -20.362
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -21.215
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: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -143.852203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.852203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.852203 (E_RNA)
where:
Base-Base interactions energy: -69.029
where: short stacking energy: -49.638
Base-Backbone interact. energy: -0.112
local terms energy: -74.711250
where:
bonds (distance) C4'-P energy: -19.682
bonds (distance) P-C4' energy: -19.938
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -8.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -120.014272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.014272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.014272 (E_RNA)
where:
Base-Base interactions energy: -39.839
where: short stacking energy: -42.276
Base-Backbone interact. energy: -0.121
local terms energy: -80.053965
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -2.210
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: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -110.238718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.238718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.238718 (E_RNA)
where:
Base-Base interactions energy: -39.135
where: short stacking energy: -35.786
Base-Backbone interact. energy: -0.162
local terms energy: -70.941690
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -98.013182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.013182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.013182 (E_RNA)
where:
Base-Base interactions energy: -35.659
where: short stacking energy: -29.172
Base-Backbone interact. energy: 2.488
local terms energy: -64.841840
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -104.777435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.777435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.777435 (E_RNA)
where:
Base-Base interactions energy: -37.835
where: short stacking energy: -32.336
Base-Backbone interact. energy: -0.272
local terms energy: -66.669485
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -22.550
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -4.475
tors. eta vs tors. theta energy: -1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -317.726427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.726427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.726427 (E_RNA)
where:
Base-Base interactions energy: -209.363
where: short stacking energy: -107.228
Base-Backbone interact. energy: -0.192
local terms energy: -108.171365
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -28.319
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: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -283.551998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.551998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.551998 (E_RNA)
where:
Base-Base interactions energy: -176.925
where: short stacking energy: -92.208
Base-Backbone interact. energy: -0.001
local terms energy: -106.625943
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -23.713
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -29.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -302.150985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.150985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.150985 (E_RNA)
where:
Base-Base interactions energy: -201.043
where: short stacking energy: -91.998
Base-Backbone interact. energy: -0.589
local terms energy: -100.519040
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -29.377
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: 39
Temperature: 1.050000
Total energy: -264.591064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.591064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.591064 (E_RNA)
where:
Base-Base interactions energy: -167.360
where: short stacking energy: -90.760
Base-Backbone interact. energy: -0.052
local terms energy: -97.178883
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -27.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -248.232868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.232868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.232868 (E_RNA)
where:
Base-Base interactions energy: -157.156
where: short stacking energy: -78.169
Base-Backbone interact. energy: -0.492
local terms energy: -90.585129
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -171.315778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.315778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.315778 (E_RNA)
where:
Base-Base interactions energy: -93.119
where: short stacking energy: -45.272
Base-Backbone interact. energy: -0.072
local terms energy: -78.124351
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -122.052709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.052709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.052709 (E_RNA)
where:
Base-Base interactions energy: -45.050
where: short stacking energy: -45.050
Base-Backbone interact. energy: -0.160
local terms energy: -76.842964
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -7.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -150.171147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.171147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.171147 (E_RNA)
where:
Base-Base interactions energy: -83.867
where: short stacking energy: -45.382
Base-Backbone interact. energy: -1.549
local terms energy: -64.754668
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -109.419732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.419732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.419732 (E_RNA)
where:
Base-Base interactions energy: -39.352
where: short stacking energy: -39.352
Base-Backbone interact. energy: -0.166
local terms energy: -69.900897
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -12.614
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: 39
Temperature: 1.350000
Total energy: -94.949677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.949677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.949677 (E_RNA)
where:
Base-Base interactions energy: -39.728
where: short stacking energy: -39.728
Base-Backbone interact. energy: -0.505
local terms energy: -54.716962
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -316.162813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.162813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.162813 (E_RNA)
where:
Base-Base interactions energy: -209.921
where: short stacking energy: -109.490
Base-Backbone interact. energy: -0.138
local terms energy: -106.104388
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: -28.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -275.741810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.741810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.741810 (E_RNA)
where:
Base-Base interactions energy: -177.707
where: short stacking energy: -80.522
Base-Backbone interact. energy: -0.011
local terms energy: -98.024546
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -298.417768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.417768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.417768 (E_RNA)
where:
Base-Base interactions energy: -207.690
where: short stacking energy: -78.268
Base-Backbone interact. energy: -0.330
local terms energy: -90.398025
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -18.521
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -20.814
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: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -249.190870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.190870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.190870 (E_RNA)
where:
Base-Base interactions energy: -153.108
where: short stacking energy: -79.348
Base-Backbone interact. energy: -1.195
local terms energy: -94.888010
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -23.611
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -16.738
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: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -240.735892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.735892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.735892 (E_RNA)
where:
Base-Base interactions energy: -152.115
where: short stacking energy: -76.403
Base-Backbone interact. energy: -0.294
local terms energy: -88.327051
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -199.553203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.553203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.553203 (E_RNA)
where:
Base-Base interactions energy: -116.241
where: short stacking energy: -51.782
Base-Backbone interact. energy: -0.289
local terms energy: -83.022785
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -22.765
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -11.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -139.218824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.218824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.218824 (E_RNA)
where:
Base-Base interactions energy: -67.544
where: short stacking energy: -48.950
Base-Backbone interact. energy: -0.278
local terms energy: -71.397154
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -8.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -120.690632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.690632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.690632 (E_RNA)
where:
Base-Base interactions energy: -39.817
where: short stacking energy: -32.899
Base-Backbone interact. energy: -0.983
local terms energy: -79.890952
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -20.382
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -13.172
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: 2
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -102.493764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.493764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.493764 (E_RNA)
where:
Base-Base interactions energy: -34.136
where: short stacking energy: -24.986
Base-Backbone interact. energy: -0.283
local terms energy: -68.074273
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -22.199
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: 3.124
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: 40
Temperature: 1.350000
Total energy: -107.944154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.944154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.944154 (E_RNA)
where:
Base-Base interactions energy: -49.152
where: short stacking energy: -42.800
Base-Backbone interact. energy: -0.191
local terms energy: -58.601454
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: 0.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -326.682175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.682175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.682175 (E_RNA)
where:
Base-Base interactions energy: -212.693
where: short stacking energy: -108.068
Base-Backbone interact. energy: -0.138
local terms energy: -113.851003
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -17.194
tors. eta vs tors. theta energy: -28.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -300.177233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.177233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.177233 (E_RNA)
where:
Base-Base interactions energy: -204.852
where: short stacking energy: -86.539
Base-Backbone interact. energy: 3.315
local terms energy: -98.640146
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -15.583
tors. eta vs tors. theta energy: -25.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -266.492852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.492852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.492852 (E_RNA)
where:
Base-Base interactions energy: -173.662
where: short stacking energy: -82.127
Base-Backbone interact. energy: -0.537
local terms energy: -92.293303
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -22.053
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: 41
Temperature: 1.050000
Total energy: -241.926529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.926529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.926529 (E_RNA)
where:
Base-Base interactions energy: -151.830
where: short stacking energy: -72.358
Base-Backbone interact. energy: -0.110
local terms energy: -89.986392
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -247.120031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.120031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.120031 (E_RNA)
where:
Base-Base interactions energy: -163.885
where: short stacking energy: -90.248
Base-Backbone interact. energy: -0.096
local terms energy: -83.139353
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -18.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -230.525462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.525462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.525462 (E_RNA)
where:
Base-Base interactions energy: -148.444
where: short stacking energy: -66.963
Base-Backbone interact. energy: 0.205
local terms energy: -82.286367
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -9.088
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: 6
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -159.931103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.931103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.931103 (E_RNA)
where:
Base-Base interactions energy: -80.307
where: short stacking energy: -48.136
Base-Backbone interact. energy: 0.811
local terms energy: -80.435145
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -122.731184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.731184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.731184 (E_RNA)
where:
Base-Base interactions energy: -55.016
where: short stacking energy: -50.135
Base-Backbone interact. energy: -0.308
local terms energy: -67.406812
where:
bonds (distance) C4'-P energy: -21.964
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -11.134
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: 9, replica: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -106.903487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.903487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.903487 (E_RNA)
where:
Base-Base interactions energy: -44.046
where: short stacking energy: -44.046
Base-Backbone interact. energy: 3.983
local terms energy: -66.839931
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -22.300
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: 0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -114.898606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.898606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.898606 (E_RNA)
where:
Base-Base interactions energy: -49.265
where: short stacking energy: -45.975
Base-Backbone interact. energy: 0.756
local terms energy: -66.388989
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -6.286
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: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -304.609686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.609686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.609686 (E_RNA)
where:
Base-Base interactions energy: -205.129
where: short stacking energy: -98.603
Base-Backbone interact. energy: 0.023
local terms energy: -99.503529
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -18.511
tors. eta vs tors. theta energy: -24.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -307.124922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.124922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.124922 (E_RNA)
where:
Base-Base interactions energy: -203.389
where: short stacking energy: -97.764
Base-Backbone interact. energy: -0.563
local terms energy: -103.173026
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -24.916
flat angles P-C4'-P energy: -16.709
tors. eta vs tors. theta energy: -28.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -245.430131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.430131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.430131 (E_RNA)
where:
Base-Base interactions energy: -152.334
where: short stacking energy: -80.564
Base-Backbone interact. energy: -0.718
local terms energy: -92.377847
where:
bonds (distance) C4'-P energy: -19.918
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -21.923
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: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -248.000861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.000861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.000861 (E_RNA)
where:
Base-Base interactions energy: -154.485
where: short stacking energy: -78.472
Base-Backbone interact. energy: -0.278
local terms energy: -93.237896
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -19.938
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: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -214.991462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.991462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.991462 (E_RNA)
where:
Base-Base interactions energy: -129.925
where: short stacking energy: -63.923
Base-Backbone interact. energy: -0.091
local terms energy: -84.975610
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -20.198
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -13.881
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: 6, replica: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -203.107369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.107369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.107369 (E_RNA)
where:
Base-Base interactions energy: -119.421
where: short stacking energy: -71.924
Base-Backbone interact. energy: 1.061
local terms energy: -84.747149
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -15.614
tors. eta vs tors. theta energy: -15.012
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: 2
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -115.636930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.636930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.636930 (E_RNA)
where:
Base-Base interactions energy: -47.147
where: short stacking energy: -38.491
Base-Backbone interact. energy: -0.394
local terms energy: -68.095913
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -13.814
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)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -173.056294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.056294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.056294 (E_RNA)
where:
Base-Base interactions energy: -105.054
where: short stacking energy: -56.157
Base-Backbone interact. energy: -0.159
local terms energy: -67.844077
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -98.619636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.619636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.619636 (E_RNA)
where:
Base-Base interactions energy: -34.944
where: short stacking energy: -34.424
Base-Backbone interact. energy: -0.216
local terms energy: -63.459580
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -9.627
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: 10, replica: 4
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -108.847819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.847819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.847819 (E_RNA)
where:
Base-Base interactions energy: -41.873
where: short stacking energy: -38.185
Base-Backbone interact. energy: -1.604
local terms energy: -65.370110
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -19.719
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -305.584262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.584262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.584262 (E_RNA)
where:
Base-Base interactions energy: -201.539
where: short stacking energy: -99.493
Base-Backbone interact. energy: -0.822
local terms energy: -103.222594
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -22.615
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: 10
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -305.365925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.365925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.365925 (E_RNA)
where:
Base-Base interactions energy: -199.349
where: short stacking energy: -90.666
Base-Backbone interact. energy: -0.905
local terms energy: -105.111985
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -31.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -238.340179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.340179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.340179 (E_RNA)
where:
Base-Base interactions energy: -143.499
where: short stacking energy: -81.660
Base-Backbone interact. energy: -0.074
local terms energy: -94.767127
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -227.791812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.791812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.791812 (E_RNA)
where:
Base-Base interactions energy: -144.995
where: short stacking energy: -77.604
Base-Backbone interact. energy: -0.265
local terms energy: -82.532035
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -223.752645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.752645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.752645 (E_RNA)
where:
Base-Base interactions energy: -136.303
where: short stacking energy: -69.226
Base-Backbone interact. energy: -0.411
local terms energy: -87.038953
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -21.541
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: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -203.610979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.610979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.610979 (E_RNA)
where:
Base-Base interactions energy: -116.231
where: short stacking energy: -62.245
Base-Backbone interact. energy: -0.333
local terms energy: -87.047206
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -19.318
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -121.201067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.201067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.201067 (E_RNA)
where:
Base-Base interactions energy: -50.161
where: short stacking energy: -35.328
Base-Backbone interact. energy: -0.716
local terms energy: -70.324861
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -8.509
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: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -161.661101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.661101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.661101 (E_RNA)
where:
Base-Base interactions energy: -92.364
where: short stacking energy: -56.828
Base-Backbone interact. energy: -1.122
local terms energy: -68.175461
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -11.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -107.683020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.683020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.683020 (E_RNA)
where:
Base-Base interactions energy: -54.055
where: short stacking energy: -36.806
Base-Backbone interact. energy: 0.550
local terms energy: -54.177811
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: 0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -103.027691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.027691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.027691 (E_RNA)
where:
Base-Base interactions energy: -29.243
where: short stacking energy: -28.011
Base-Backbone interact. energy: -0.981
local terms energy: -72.803312
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -21.835
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: 1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -295.600646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.600646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.600646 (E_RNA)
where:
Base-Base interactions energy: -190.619
where: short stacking energy: -91.246
Base-Backbone interact. energy: -0.252
local terms energy: -104.730065
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -23.923
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -25.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -311.672411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.672411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.672411 (E_RNA)
where:
Base-Base interactions energy: -204.916
where: short stacking energy: -91.265
Base-Backbone interact. energy: -0.063
local terms energy: -106.693120
where:
bonds (distance) C4'-P energy: -18.441
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -25.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -260.732758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.732758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.732758 (E_RNA)
where:
Base-Base interactions energy: -161.464
where: short stacking energy: -73.543
Base-Backbone interact. energy: -0.049
local terms energy: -99.220378
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -21.418
flat angles C4'-P-C4' energy: -23.257
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -21.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -241.318702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.318702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.318702 (E_RNA)
where:
Base-Base interactions energy: -146.258
where: short stacking energy: -75.894
Base-Backbone interact. energy: -0.143
local terms energy: -94.918604
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -23.700
flat angles C4'-P-C4' energy: -21.607
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -230.082141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.082141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.082141 (E_RNA)
where:
Base-Base interactions energy: -141.064
where: short stacking energy: -84.019
Base-Backbone interact. energy: -0.569
local terms energy: -88.449112
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -22.109
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: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -194.664880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.664880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.664880 (E_RNA)
where:
Base-Base interactions energy: -123.694
where: short stacking energy: -69.531
Base-Backbone interact. energy: -0.327
local terms energy: -70.643779
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -10.710
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: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -164.865428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.865428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.865428 (E_RNA)
where:
Base-Base interactions energy: -85.438
where: short stacking energy: -53.074
Base-Backbone interact. energy: -0.082
local terms energy: -79.345307
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -10.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -125.056142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.056142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.056142 (E_RNA)
where:
Base-Base interactions energy: -52.938
where: short stacking energy: -49.772
Base-Backbone interact. energy: -1.063
local terms energy: -71.054974
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -119.927494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.927494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.927494 (E_RNA)
where:
Base-Base interactions energy: -57.222
where: short stacking energy: -40.699
Base-Backbone interact. energy: -0.098
local terms energy: -62.607251
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -109.672774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.672774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.672774 (E_RNA)
where:
Base-Base interactions energy: -39.030
where: short stacking energy: -39.030
Base-Backbone interact. energy: -0.066
local terms energy: -70.576641
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -2.528
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: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -304.244200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.244200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.244200 (E_RNA)
where:
Base-Base interactions energy: -198.897
where: short stacking energy: -89.710
Base-Backbone interact. energy: 1.019
local terms energy: -106.365983
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -23.455
flat angles P-C4'-P energy: -18.624
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: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -303.966016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.966016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.966016 (E_RNA)
where:
Base-Base interactions energy: -200.477
where: short stacking energy: -99.381
Base-Backbone interact. energy: -0.024
local terms energy: -103.465543
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -24.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -273.639228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.639228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.639228 (E_RNA)
where:
Base-Base interactions energy: -173.658
where: short stacking energy: -77.034
Base-Backbone interact. energy: -0.312
local terms energy: -99.669280
where:
bonds (distance) C4'-P energy: -22.504
bonds (distance) P-C4' energy: -22.800
flat angles C4'-P-C4' energy: -21.242
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -25.371
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: 4, replica: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -235.460270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.460270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.460270 (E_RNA)
where:
Base-Base interactions energy: -138.147
where: short stacking energy: -76.205
Base-Backbone interact. energy: -0.684
local terms energy: -96.629112
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -22.370
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: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -218.612054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.612054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.612054 (E_RNA)
where:
Base-Base interactions energy: -128.056
where: short stacking energy: -60.927
Base-Backbone interact. energy: 0.435
local terms energy: -90.990950
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -23.206
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -14.278
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: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -195.775923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.775923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.775923 (E_RNA)
where:
Base-Base interactions energy: -108.744
where: short stacking energy: -58.398
Base-Backbone interact. energy: -0.129
local terms energy: -86.903284
where:
bonds (distance) C4'-P energy: -23.035
bonds (distance) P-C4' energy: -22.326
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -16.413
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: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -175.111388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.111388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.111388 (E_RNA)
where:
Base-Base interactions energy: -93.993
where: short stacking energy: -54.728
Base-Backbone interact. energy: -0.148
local terms energy: -80.970194
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -11.583
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: 8, replica: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -125.050911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.050911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.050911 (E_RNA)
where:
Base-Base interactions energy: -56.779
where: short stacking energy: -51.268
Base-Backbone interact. energy: -0.389
local terms energy: -67.882682
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -5.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -108.196172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.196172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.196172 (E_RNA)
where:
Base-Base interactions energy: -42.651
where: short stacking energy: -41.811
Base-Backbone interact. energy: -1.122
local terms energy: -64.422417
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -116.386411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.386411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.386411 (E_RNA)
where:
Base-Base interactions energy: -57.877
where: short stacking energy: -52.081
Base-Backbone interact. energy: -0.144
local terms energy: -58.365020
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -5.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -300.568346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.568346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.568346 (E_RNA)
where:
Base-Base interactions energy: -196.349
where: short stacking energy: -93.910
Base-Backbone interact. energy: -0.120
local terms energy: -104.098855
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -27.558
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: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -290.740915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.740915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.740915 (E_RNA)
where:
Base-Base interactions energy: -194.417
where: short stacking energy: -84.723
Base-Backbone interact. energy: -0.522
local terms energy: -95.801924
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -13.149
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: 3, replica: 8
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -277.225947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.225947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.225947 (E_RNA)
where:
Base-Base interactions energy: -171.316
where: short stacking energy: -84.105
Base-Backbone interact. energy: -0.653
local terms energy: -105.256819
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -24.322
flat angles C4'-P-C4' energy: -22.838
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -23.826
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: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -226.396269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.396269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.396269 (E_RNA)
where:
Base-Base interactions energy: -132.298
where: short stacking energy: -66.160
Base-Backbone interact. energy: 0.724
local terms energy: -94.822278
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -216.239310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.239310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.239310 (E_RNA)
where:
Base-Base interactions energy: -135.714
where: short stacking energy: -83.555
Base-Backbone interact. energy: -0.625
local terms energy: -79.901051
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -18.610
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: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -223.068769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.068769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.068769 (E_RNA)
where:
Base-Base interactions energy: -139.229
where: short stacking energy: -64.023
Base-Backbone interact. energy: 0.089
local terms energy: -83.928914
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -16.177
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: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -178.969173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.969173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.969173 (E_RNA)
where:
Base-Base interactions energy: -101.727
where: short stacking energy: -55.657
Base-Backbone interact. energy: -0.103
local terms energy: -77.139258
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -14.529
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: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -113.471662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.471662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.471662 (E_RNA)
where:
Base-Base interactions energy: -38.811
where: short stacking energy: -37.043
Base-Backbone interact. energy: 0.553
local terms energy: -75.212908
where:
bonds (distance) C4'-P energy: -19.372
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -7.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -148.327764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.327764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.327764 (E_RNA)
where:
Base-Base interactions energy: -81.281
where: short stacking energy: -45.556
Base-Backbone interact. energy: -1.167
local terms energy: -65.879914
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -7.828
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -15.439
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: 10, replica: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -95.000792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.000792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.000792 (E_RNA)
where:
Base-Base interactions energy: -31.267
where: short stacking energy: -29.852
Base-Backbone interact. energy: -0.925
local terms energy: -62.809371
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -317.247100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.247100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.247100 (E_RNA)
where:
Base-Base interactions energy: -209.973
where: short stacking energy: -87.483
Base-Backbone interact. energy: -0.101
local terms energy: -107.173808
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: -25.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -295.760929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.760929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.760929 (E_RNA)
where:
Base-Base interactions energy: -192.569
where: short stacking energy: -78.827
Base-Backbone interact. energy: -0.828
local terms energy: -102.363472
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -24.242
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: 8
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -274.906198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.906198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.906198 (E_RNA)
where:
Base-Base interactions energy: -174.318
where: short stacking energy: -89.300
Base-Backbone interact. energy: -0.034
local terms energy: -100.553564
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -28.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -229.825157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.825157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.825157 (E_RNA)
where:
Base-Base interactions energy: -139.090
where: short stacking energy: -67.829
Base-Backbone interact. energy: -0.161
local terms energy: -90.574006
where:
bonds (distance) C4'-P energy: -23.261
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -214.219720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.219720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.219720 (E_RNA)
where:
Base-Base interactions energy: -135.640
where: short stacking energy: -73.947
Base-Backbone interact. energy: -0.023
local terms energy: -78.556131
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -14.115
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: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -223.639589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.639589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.639589 (E_RNA)
where:
Base-Base interactions energy: -140.317
where: short stacking energy: -68.816
Base-Backbone interact. energy: -0.350
local terms energy: -82.972216
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -175.169541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.169541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.169541 (E_RNA)
where:
Base-Base interactions energy: -99.225
where: short stacking energy: -50.377
Base-Backbone interact. energy: -0.358
local terms energy: -75.586530
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -10.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -126.112280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.112280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.112280 (E_RNA)
where:
Base-Base interactions energy: -65.354
where: short stacking energy: -42.914
Base-Backbone interact. energy: -0.070
local terms energy: -60.688335
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -122.151245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.151245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.151245 (E_RNA)
where:
Base-Base interactions energy: -50.107
where: short stacking energy: -50.107
Base-Backbone interact. energy: -0.092
local terms energy: -71.952283
where:
bonds (distance) C4'-P energy: -20.289
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -108.288216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.288216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.288216 (E_RNA)
where:
Base-Base interactions energy: -31.679
where: short stacking energy: -30.810
Base-Backbone interact. energy: -0.140
local terms energy: -76.469884
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -321.819506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.819506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.819506 (E_RNA)
where:
Base-Base interactions energy: -214.330
where: short stacking energy: -95.337
Base-Backbone interact. energy: 1.048
local terms energy: -108.536853
where:
bonds (distance) C4'-P energy: -18.661
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -22.446
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -29.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -307.449362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.449362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.449362 (E_RNA)
where:
Base-Base interactions energy: -209.230
where: short stacking energy: -71.107
Base-Backbone interact. energy: -0.438
local terms energy: -97.780942
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -22.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -268.878604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.878604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.878604 (E_RNA)
where:
Base-Base interactions energy: -168.187
where: short stacking energy: -86.579
Base-Backbone interact. energy: -0.055
local terms energy: -100.637082
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -22.691
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: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -220.603236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.603236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.603236 (E_RNA)
where:
Base-Base interactions energy: -143.471
where: short stacking energy: -59.740
Base-Backbone interact. energy: -0.399
local terms energy: -76.733364
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -20.452
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -9.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -255.513095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.513095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.513095 (E_RNA)
where:
Base-Base interactions energy: -151.887
where: short stacking energy: -77.614
Base-Backbone interact. energy: -0.006
local terms energy: -103.620005
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -22.827
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -24.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -201.346010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.346010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.346010 (E_RNA)
where:
Base-Base interactions energy: -114.494
where: short stacking energy: -64.401
Base-Backbone interact. energy: -0.367
local terms energy: -86.485665
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -17.584
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -127.329933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.329933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.329933 (E_RNA)
where:
Base-Base interactions energy: -57.771
where: short stacking energy: -38.678
Base-Backbone interact. energy: -0.723
local terms energy: -68.835565
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: 0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -160.396036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.396036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.396036 (E_RNA)
where:
Base-Base interactions energy: -86.851
where: short stacking energy: -42.434
Base-Backbone interact. energy: -0.508
local terms energy: -73.036506
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -126.656065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.656065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.656065 (E_RNA)
where:
Base-Base interactions energy: -46.512
where: short stacking energy: -46.498
Base-Backbone interact. energy: -0.031
local terms energy: -80.113176
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -24.406
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: -7.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -107.196466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.196466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.196466 (E_RNA)
where:
Base-Base interactions energy: -56.096
where: short stacking energy: -24.113
Base-Backbone interact. energy: -0.193
local terms energy: -50.907080
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -20.971
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: 3.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -321.696098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.696098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.696098 (E_RNA)
where:
Base-Base interactions energy: -216.766
where: short stacking energy: -95.312
Base-Backbone interact. energy: -0.402
local terms energy: -104.528161
where:
bonds (distance) C4'-P energy: -19.474
bonds (distance) P-C4' energy: -23.275
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -30.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -301.898083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.898083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.898083 (E_RNA)
where:
Base-Base interactions energy: -199.455
where: short stacking energy: -75.881
Base-Backbone interact. energy: -1.043
local terms energy: -101.400805
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -25.695
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: 8
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -278.776186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.776186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.776186 (E_RNA)
where:
Base-Base interactions energy: -170.055
where: short stacking energy: -81.540
Base-Backbone interact. energy: -0.422
local terms energy: -108.299570
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -24.858
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -25.324
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: 9
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -283.470344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.470344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.470344 (E_RNA)
where:
Base-Base interactions energy: -184.759
where: short stacking energy: -84.857
Base-Backbone interact. energy: -0.760
local terms energy: -97.951326
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -21.891
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -23.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -220.243091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.243091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.243091 (E_RNA)
where:
Base-Base interactions energy: -134.324
where: short stacking energy: -59.967
Base-Backbone interact. energy: -0.367
local terms energy: -85.552326
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -207.062309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.062309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.062309 (E_RNA)
where:
Base-Base interactions energy: -116.355
where: short stacking energy: -79.820
Base-Backbone interact. energy: -0.024
local terms energy: -90.683945
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -15.531
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: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -134.706454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.706454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.706454 (E_RNA)
where:
Base-Base interactions energy: -59.040
where: short stacking energy: -44.819
Base-Backbone interact. energy: -0.632
local terms energy: -75.034880
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -167.333380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.333380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.333380 (E_RNA)
where:
Base-Base interactions energy: -93.375
where: short stacking energy: -52.611
Base-Backbone interact. energy: -0.274
local terms energy: -73.684293
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -13.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -109.419721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.419721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.419721 (E_RNA)
where:
Base-Base interactions energy: -50.697
where: short stacking energy: -45.876
Base-Backbone interact. energy: 1.345
local terms energy: -60.067199
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -113.673827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.673827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.673827 (E_RNA)
where:
Base-Base interactions energy: -40.433
where: short stacking energy: -37.222
Base-Backbone interact. energy: 0.745
local terms energy: -73.984921
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -313.236775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.236775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.236775 (E_RNA)
where:
Base-Base interactions energy: -213.135
where: short stacking energy: -87.203
Base-Backbone interact. energy: -1.010
local terms energy: -99.091629
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -20.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -291.113543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.113543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.113543 (E_RNA)
where:
Base-Base interactions energy: -195.179
where: short stacking energy: -76.305
Base-Backbone interact. energy: 0.087
local terms energy: -96.021696
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -22.519
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -25.558
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: 8
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -276.637298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.637298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.637298 (E_RNA)
where:
Base-Base interactions energy: -170.405
where: short stacking energy: -89.591
Base-Backbone interact. energy: -0.536
local terms energy: -105.696614
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -22.528
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -29.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -279.216358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.216358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.216358 (E_RNA)
where:
Base-Base interactions energy: -181.397
where: short stacking energy: -89.803
Base-Backbone interact. energy: -0.257
local terms energy: -97.562549
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -26.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -245.009178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.009178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.009178 (E_RNA)
where:
Base-Base interactions energy: -163.389
where: short stacking energy: -68.773
Base-Backbone interact. energy: -0.826
local terms energy: -80.794244
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -12.462
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: 6, replica: 1
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -212.465344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.465344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.465344 (E_RNA)
where:
Base-Base interactions energy: -123.721
where: short stacking energy: -76.367
Base-Backbone interact. energy: -0.168
local terms energy: -88.575917
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -21.268
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -20.599
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: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -173.007037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.007037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.007037 (E_RNA)
where:
Base-Base interactions energy: -91.067
where: short stacking energy: -59.436
Base-Backbone interact. energy: -0.460
local terms energy: -81.479987
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -24.636
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -10.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -123.570385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.570385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.570385 (E_RNA)
where:
Base-Base interactions energy: -54.798
where: short stacking energy: -44.476
Base-Backbone interact. energy: -2.039
local terms energy: -66.732650
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -112.494506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.494506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.494506 (E_RNA)
where:
Base-Base interactions energy: -46.757
where: short stacking energy: -30.904
Base-Backbone interact. energy: -1.004
local terms energy: -64.734145
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -5.136
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: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -104.508740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.508740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.508740 (E_RNA)
where:
Base-Base interactions energy: -41.298
where: short stacking energy: -41.298
Base-Backbone interact. energy: -0.193
local terms energy: -63.017292
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -11.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -316.523516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.523516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.523516 (E_RNA)
where:
Base-Base interactions energy: -216.323
where: short stacking energy: -85.949
Base-Backbone interact. energy: -0.341
local terms energy: -99.860003
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -22.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -275.509365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.509365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.509365 (E_RNA)
where:
Base-Base interactions energy: -171.116
where: short stacking energy: -85.035
Base-Backbone interact. energy: -0.027
local terms energy: -104.366827
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -29.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -286.107481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.107481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.107481 (E_RNA)
where:
Base-Base interactions energy: -184.842
where: short stacking energy: -84.037
Base-Backbone interact. energy: -0.375
local terms energy: -100.889916
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -23.428
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: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -251.730846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.730846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.730846 (E_RNA)
where:
Base-Base interactions energy: -162.864
where: short stacking energy: -77.775
Base-Backbone interact. energy: -0.311
local terms energy: -88.555446
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -19.727
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -22.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -269.466660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.466660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.466660 (E_RNA)
where:
Base-Base interactions energy: -175.319
where: short stacking energy: -78.721
Base-Backbone interact. energy: -0.103
local terms energy: -94.044578
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -10.062
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: 6, replica: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -170.522711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.522711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.522711 (E_RNA)
where:
Base-Base interactions energy: -96.403
where: short stacking energy: -54.580
Base-Backbone interact. energy: 0.825
local terms energy: -74.945159
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -12.285
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: 7, replica: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -173.880353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.880353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.880353 (E_RNA)
where:
Base-Base interactions energy: -102.119
where: short stacking energy: -57.048
Base-Backbone interact. energy: -0.215
local terms energy: -71.547047
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -7.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -127.446276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.446276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.446276 (E_RNA)
where:
Base-Base interactions energy: -48.468
where: short stacking energy: -40.420
Base-Backbone interact. energy: -0.414
local terms energy: -78.563689
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -22.981
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -110.206393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.206393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.206393 (E_RNA)
where:
Base-Base interactions energy: -32.503
where: short stacking energy: -32.491
Base-Backbone interact. energy: -0.412
local terms energy: -77.291601
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -5.242
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: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -101.964896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.964896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.964896 (E_RNA)
where:
Base-Base interactions energy: -33.331
where: short stacking energy: -33.331
Base-Backbone interact. energy: -0.121
local terms energy: -68.512686
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -21.155
flat angles P-C4'-P energy: -7.186
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: 1, replica: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -317.047757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.047757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.047757 (E_RNA)
where:
Base-Base interactions energy: -208.615
where: short stacking energy: -97.165
Base-Backbone interact. energy: -0.997
local terms energy: -107.436192
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -31.330
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: 2, replica: 8
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -293.527303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.527303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.527303 (E_RNA)
where:
Base-Base interactions energy: -191.699
where: short stacking energy: -97.064
Base-Backbone interact. energy: -0.986
local terms energy: -100.842700
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -30.822
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: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -248.599599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.599599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.599599 (E_RNA)
where:
Base-Base interactions energy: -156.587
where: short stacking energy: -69.319
Base-Backbone interact. energy: -2.728
local terms energy: -89.284704
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -17.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -259.592309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.592309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.592309 (E_RNA)
where:
Base-Base interactions energy: -172.691
where: short stacking energy: -78.450
Base-Backbone interact. energy: -0.426
local terms energy: -86.476149
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -19.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -260.314156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.314156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.314156 (E_RNA)
where:
Base-Base interactions energy: -175.220
where: short stacking energy: -64.898
Base-Backbone interact. energy: -0.754
local terms energy: -84.339747
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -18.297
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: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -166.899675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.899675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.899675 (E_RNA)
where:
Base-Base interactions energy: -100.436
where: short stacking energy: -55.835
Base-Backbone interact. energy: 0.384
local terms energy: -66.848261
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -10.809
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: 2
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -129.987692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.987692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.987692 (E_RNA)
where:
Base-Base interactions energy: -49.575
where: short stacking energy: -49.267
Base-Backbone interact. energy: -0.370
local terms energy: -80.042473
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: -8.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -170.841030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.841030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.841030 (E_RNA)
where:
Base-Base interactions energy: -93.596
where: short stacking energy: -54.141
Base-Backbone interact. energy: -0.082
local terms energy: -77.163486
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -12.412
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: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -107.110281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.110281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.110281 (E_RNA)
where:
Base-Base interactions energy: -39.566
where: short stacking energy: -27.805
Base-Backbone interact. energy: -0.055
local terms energy: -67.488985
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -6.623
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: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -97.791779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.791779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.791779 (E_RNA)
where:
Base-Base interactions energy: -29.807
where: short stacking energy: -29.156
Base-Backbone interact. energy: -0.170
local terms energy: -67.815253
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -20.801
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -15.490
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: 1, replica: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -317.931780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.931780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.931780 (E_RNA)
where:
Base-Base interactions energy: -211.844
where: short stacking energy: -92.140
Base-Backbone interact. energy: -0.400
local terms energy: -105.688102
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -20.080
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -27.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -280.122786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.122786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.122786 (E_RNA)
where:
Base-Base interactions energy: -191.962
where: short stacking energy: -99.854
Base-Backbone interact. energy: -0.004
local terms energy: -88.157294
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -25.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -254.071048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.071048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.071048 (E_RNA)
where:
Base-Base interactions energy: -157.097
where: short stacking energy: -76.463
Base-Backbone interact. energy: -0.640
local terms energy: -96.333481
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -22.640
flat angles P-C4'-P energy: -11.316
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: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -246.390883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.390883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.390883 (E_RNA)
where:
Base-Base interactions energy: -159.762
where: short stacking energy: -64.617
Base-Backbone interact. energy: -0.677
local terms energy: -85.952044
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -23.552
flat angles C4'-P-C4' energy: -19.414
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -231.277381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.277381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.277381 (E_RNA)
where:
Base-Base interactions energy: -145.638
where: short stacking energy: -78.652
Base-Backbone interact. energy: -0.133
local terms energy: -85.506842
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -15.121
tors. eta vs tors. theta energy: -18.616
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: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -182.551174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.551174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.551174 (E_RNA)
where:
Base-Base interactions energy: -105.592
where: short stacking energy: -58.222
Base-Backbone interact. energy: 0.888
local terms energy: -77.846794
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -23.603
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -10.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -131.625907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.625907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.625907 (E_RNA)
where:
Base-Base interactions energy: -53.660
where: short stacking energy: -53.660
Base-Backbone interact. energy: -0.113
local terms energy: -77.853244
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -11.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -169.304691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.304691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.304691 (E_RNA)
where:
Base-Base interactions energy: -92.912
where: short stacking energy: -47.559
Base-Backbone interact. energy: -0.413
local terms energy: -75.979459
where:
bonds (distance) C4'-P energy: -20.972
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -3.571
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: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -109.319397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.319397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.319397 (E_RNA)
where:
Base-Base interactions energy: -48.529
where: short stacking energy: -37.639
Base-Backbone interact. energy: -0.469
local terms energy: -60.321406
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -118.771806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.771806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.771806 (E_RNA)
where:
Base-Base interactions energy: -50.482
where: short stacking energy: -42.956
Base-Backbone interact. energy: 0.389
local terms energy: -68.678617
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -23.731
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -318.279930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.279930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.279930 (E_RNA)
where:
Base-Base interactions energy: -216.103
where: short stacking energy: -96.502
Base-Backbone interact. energy: 0.273
local terms energy: -102.449727
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -25.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -274.534012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.534012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.534012 (E_RNA)
where:
Base-Base interactions energy: -168.209
where: short stacking energy: -96.541
Base-Backbone interact. energy: 0.298
local terms energy: -106.622527
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -24.736
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -26.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -260.766062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.766062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.766062 (E_RNA)
where:
Base-Base interactions energy: -151.790
where: short stacking energy: -80.527
Base-Backbone interact. energy: -0.304
local terms energy: -108.671299
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -24.783
flat angles C4'-P-C4' energy: -24.242
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -23.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -262.828062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.828062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.828062 (E_RNA)
where:
Base-Base interactions energy: -173.439
where: short stacking energy: -60.597
Base-Backbone interact. energy: 0.115
local terms energy: -89.503852
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -19.092
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -210.568513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.568513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.568513 (E_RNA)
where:
Base-Base interactions energy: -118.419
where: short stacking energy: -71.935
Base-Backbone interact. energy: -0.004
local terms energy: -92.145472
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -20.715
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: -20.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -231.525640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.525640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.525640 (E_RNA)
where:
Base-Base interactions energy: -138.509
where: short stacking energy: -65.779
Base-Backbone interact. energy: -0.175
local terms energy: -92.841391
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -22.383
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -20.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -123.908083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.908083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.908083 (E_RNA)
where:
Base-Base interactions energy: -61.254
where: short stacking energy: -46.298
Base-Backbone interact. energy: -0.314
local terms energy: -62.339686
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -131.498359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.498359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.498359 (E_RNA)
where:
Base-Base interactions energy: -47.279
where: short stacking energy: -38.520
Base-Backbone interact. energy: -0.171
local terms energy: -84.048294
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -26.457
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -106.484329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.484329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.484329 (E_RNA)
where:
Base-Base interactions energy: -39.126
where: short stacking energy: -38.003
Base-Backbone interact. energy: 2.373
local terms energy: -69.731857
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -10.415
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: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -108.507083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.507083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.507083 (E_RNA)
where:
Base-Base interactions energy: -44.165
where: short stacking energy: -34.446
Base-Backbone interact. energy: -0.834
local terms energy: -63.508720
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -10.122
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: 1, replica: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -323.411199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.411199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.411199 (E_RNA)
where:
Base-Base interactions energy: -207.011
where: short stacking energy: -90.660
Base-Backbone interact. energy: -0.854
local terms energy: -115.546048
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -23.330
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: -29.245
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: 8
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -287.691913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.691913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.691913 (E_RNA)
where:
Base-Base interactions energy: -185.546
where: short stacking energy: -87.354
Base-Backbone interact. energy: 0.231
local terms energy: -102.376401
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -12.712
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: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -254.905057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.905057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.905057 (E_RNA)
where:
Base-Base interactions energy: -154.941
where: short stacking energy: -86.937
Base-Backbone interact. energy: -0.874
local terms energy: -99.089585
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -26.667
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: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -276.929643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.929643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.929643 (E_RNA)
where:
Base-Base interactions energy: -182.149
where: short stacking energy: -76.581
Base-Backbone interact. energy: -0.575
local terms energy: -94.205623
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -189.580879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.580879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.580879 (E_RNA)
where:
Base-Base interactions energy: -117.537
where: short stacking energy: -76.042
Base-Backbone interact. energy: -0.091
local terms energy: -71.953006
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -13.042
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: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -235.610437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.610437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.610437 (E_RNA)
where:
Base-Base interactions energy: -155.766
where: short stacking energy: -85.609
Base-Backbone interact. energy: -0.061
local terms energy: -79.782894
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -21.126
flat angles P-C4'-P energy: -4.319
tors. eta vs tors. theta energy: -21.839
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: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -133.828691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.828691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.828691 (E_RNA)
where:
Base-Base interactions energy: -53.450
where: short stacking energy: -41.080
Base-Backbone interact. energy: -1.744
local terms energy: -78.635138
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -19.991
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -9.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -109.973780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.973780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.973780 (E_RNA)
where:
Base-Base interactions energy: -52.342
where: short stacking energy: -51.348
Base-Backbone interact. energy: -0.134
local terms energy: -57.497332
where:
bonds (distance) C4'-P energy: -7.743
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -126.877019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.877019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.877019 (E_RNA)
where:
Base-Base interactions energy: -53.534
where: short stacking energy: -44.406
Base-Backbone interact. energy: 0.081
local terms energy: -73.423892
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -10.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -99.458309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.458309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.458309 (E_RNA)
where:
Base-Base interactions energy: -39.881
where: short stacking energy: -35.605
Base-Backbone interact. energy: -0.179
local terms energy: -59.398555
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -3.669
tors. eta vs tors. theta energy: 2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -278.540892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.540892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.540892 (E_RNA)
where:
Base-Base interactions energy: -169.867
where: short stacking energy: -90.814
Base-Backbone interact. energy: -0.403
local terms energy: -108.270612
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -25.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -323.017519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.017519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.017519 (E_RNA)
where:
Base-Base interactions energy: -213.752
where: short stacking energy: -91.638
Base-Backbone interact. energy: 2.802
local terms energy: -112.068383
where:
bonds (distance) C4'-P energy: -23.267
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -24.609
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -27.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -274.755548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.755548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.755548 (E_RNA)
where:
Base-Base interactions energy: -176.461
where: short stacking energy: -76.866
Base-Backbone interact. energy: -0.297
local terms energy: -97.996681
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -20.063
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -24.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -256.954727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.954727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.954727 (E_RNA)
where:
Base-Base interactions energy: -153.095
where: short stacking energy: -76.337
Base-Backbone interact. energy: -0.263
local terms energy: -103.596635
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -15.858
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: 5, replica: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -253.969784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.969784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.969784 (E_RNA)
where:
Base-Base interactions energy: -151.510
where: short stacking energy: -80.156
Base-Backbone interact. energy: -0.911
local terms energy: -101.548664
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -22.379
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -21.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -196.847032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.847032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.847032 (E_RNA)
where:
Base-Base interactions energy: -107.228
where: short stacking energy: -54.140
Base-Backbone interact. energy: -0.287
local terms energy: -89.332595
where:
bonds (distance) C4'-P energy: -23.095
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -15.281
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: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -120.479654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.479654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.479654 (E_RNA)
where:
Base-Base interactions energy: -50.144
where: short stacking energy: -36.220
Base-Backbone interact. energy: -0.065
local terms energy: -70.270669
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -7.903
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: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -114.404527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.404527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.404527 (E_RNA)
where:
Base-Base interactions energy: -38.296
where: short stacking energy: -38.296
Base-Backbone interact. energy: -0.175
local terms energy: -75.933900
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -6.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -136.968822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.968822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.968822 (E_RNA)
where:
Base-Base interactions energy: -78.544
where: short stacking energy: -37.345
Base-Backbone interact. energy: -0.635
local terms energy: -57.790269
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -105.525850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.525850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.525850 (E_RNA)
where:
Base-Base interactions energy: -43.282
where: short stacking energy: -43.282
Base-Backbone interact. energy: -0.255
local terms energy: -61.988401
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -292.727029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.727029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.727029 (E_RNA)
where:
Base-Base interactions energy: -177.321
where: short stacking energy: -92.234
Base-Backbone interact. energy: -0.070
local terms energy: -115.336630
where:
bonds (distance) C4'-P energy: -21.232
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -24.026
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: -28.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -310.194500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.194500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.194500 (E_RNA)
where:
Base-Base interactions energy: -200.665
where: short stacking energy: -93.218
Base-Backbone interact. energy: -0.865
local terms energy: -108.664241
where:
bonds (distance) C4'-P energy: -23.196
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -29.427
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: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -264.196011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.196011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.196011 (E_RNA)
where:
Base-Base interactions energy: -183.329
where: short stacking energy: -75.523
Base-Backbone interact. energy: 0.598
local terms energy: -81.465123
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -16.575
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: 57
Temperature: 1.050000
Total energy: -250.397182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.397182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.397182 (E_RNA)
where:
Base-Base interactions energy: -158.457
where: short stacking energy: -84.948
Base-Backbone interact. energy: -0.296
local terms energy: -91.643649
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -27.222
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: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -227.414164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.414164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.414164 (E_RNA)
where:
Base-Base interactions energy: -141.255
where: short stacking energy: -66.080
Base-Backbone interact. energy: -1.598
local terms energy: -84.561190
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -15.940
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: 6
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -181.480428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.480428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.480428 (E_RNA)
where:
Base-Base interactions energy: -100.634
where: short stacking energy: -48.592
Base-Backbone interact. energy: 0.092
local terms energy: -80.938865
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -126.168279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.168279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.168279 (E_RNA)
where:
Base-Base interactions energy: -55.858
where: short stacking energy: -55.071
Base-Backbone interact. energy: -0.548
local terms energy: -69.762040
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -21.043
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -8.554
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: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -171.469836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.469836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.469836 (E_RNA)
where:
Base-Base interactions energy: -98.267
where: short stacking energy: -53.411
Base-Backbone interact. energy: -0.915
local terms energy: -72.287798
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -10.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -114.863072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.863072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.863072 (E_RNA)
where:
Base-Base interactions energy: -54.768
where: short stacking energy: -52.032
Base-Backbone interact. energy: -0.295
local terms energy: -59.799863
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -7.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -102.419504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.419504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.419504 (E_RNA)
where:
Base-Base interactions energy: -45.347
where: short stacking energy: -39.227
Base-Backbone interact. energy: 0.095
local terms energy: -57.167988
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -324.541311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.541311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.541311 (E_RNA)
where:
Base-Base interactions energy: -211.268
where: short stacking energy: -94.694
Base-Backbone interact. energy: 0.732
local terms energy: -114.005274
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -15.802
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: 8
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -286.048770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.048770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.048770 (E_RNA)
where:
Base-Base interactions energy: -185.256
where: short stacking energy: -87.620
Base-Backbone interact. energy: -0.414
local terms energy: -100.379465
where:
bonds (distance) C4'-P energy: -19.981
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -25.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -261.490030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.490030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.490030 (E_RNA)
where:
Base-Base interactions energy: -162.051
where: short stacking energy: -84.514
Base-Backbone interact. energy: -0.419
local terms energy: -99.019376
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -17.191
tors. eta vs tors. theta energy: -24.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -266.601079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.601079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.601079 (E_RNA)
where:
Base-Base interactions energy: -179.848
where: short stacking energy: -77.178
Base-Backbone interact. energy: 0.835
local terms energy: -87.588876
where:
bonds (distance) C4'-P energy: -19.800
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -8.330
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: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -228.118153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.118153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.118153 (E_RNA)
where:
Base-Base interactions energy: -146.657
where: short stacking energy: -64.110
Base-Backbone interact. energy: 0.658
local terms energy: -82.119310
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -13.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -168.478069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.478069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.478069 (E_RNA)
where:
Base-Base interactions energy: -93.711
where: short stacking energy: -57.586
Base-Backbone interact. energy: -0.131
local terms energy: -74.636403
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -11.578
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: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -189.825116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.825116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.825116 (E_RNA)
where:
Base-Base interactions energy: -104.770
where: short stacking energy: -57.587
Base-Backbone interact. energy: -0.122
local terms energy: -84.933551
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -20.801
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -115.168544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.168544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.168544 (E_RNA)
where:
Base-Base interactions energy: -50.105
where: short stacking energy: -34.809
Base-Backbone interact. energy: 0.233
local terms energy: -65.297341
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -7.726
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -118.030511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.030511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.030511 (E_RNA)
where:
Base-Base interactions energy: -52.229
where: short stacking energy: -37.746
Base-Backbone interact. energy: -0.373
local terms energy: -65.428692
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -9.518
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: 10, replica: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -134.878164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.878164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.878164 (E_RNA)
where:
Base-Base interactions energy: -72.182
where: short stacking energy: -40.090
Base-Backbone interact. energy: -1.401
local terms energy: -61.295557
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -319.826317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.826317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.826317 (E_RNA)
where:
Base-Base interactions energy: -212.438
where: short stacking energy: -94.328
Base-Backbone interact. energy: -0.022
local terms energy: -107.366958
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -26.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -284.839090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.839090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.839090 (E_RNA)
where:
Base-Base interactions energy: -180.345
where: short stacking energy: -96.581
Base-Backbone interact. energy: -0.089
local terms energy: -104.405705
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -14.037
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: 3, replica: 9
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -264.698666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.698666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.698666 (E_RNA)
where:
Base-Base interactions energy: -166.580
where: short stacking energy: -94.910
Base-Backbone interact. energy: -0.562
local terms energy: -97.557394
where:
bonds (distance) C4'-P energy: -21.293
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -8.806
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: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -268.894704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.894704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.894704 (E_RNA)
where:
Base-Base interactions energy: -174.120
where: short stacking energy: -85.136
Base-Backbone interact. energy: 0.395
local terms energy: -95.170056
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -22.273
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -15.469
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: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -233.676082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.676082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.676082 (E_RNA)
where:
Base-Base interactions energy: -143.310
where: short stacking energy: -79.225
Base-Backbone interact. energy: -0.105
local terms energy: -90.260274
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -21.112
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -18.314
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: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -200.777306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.777306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.777306 (E_RNA)
where:
Base-Base interactions energy: -117.336
where: short stacking energy: -69.792
Base-Backbone interact. energy: -0.188
local terms energy: -83.253375
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -169.103622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.103622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.103622 (E_RNA)
where:
Base-Base interactions energy: -90.004
where: short stacking energy: -57.913
Base-Backbone interact. energy: -1.257
local terms energy: -77.842892
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -134.129324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.129324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.129324 (E_RNA)
where:
Base-Base interactions energy: -51.763
where: short stacking energy: -43.971
Base-Backbone interact. energy: -0.129
local terms energy: -82.236923
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -19.332
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -14.007
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: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -128.081560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.081560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.081560 (E_RNA)
where:
Base-Base interactions energy: -45.529
where: short stacking energy: -41.356
Base-Backbone interact. energy: -0.375
local terms energy: -82.178255
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -24.277
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -94.170962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.170962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.170962 (E_RNA)
where:
Base-Base interactions energy: -30.064
where: short stacking energy: -30.064
Base-Backbone interact. energy: -0.444
local terms energy: -63.663039
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -314.545574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.545574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.545574 (E_RNA)
where:
Base-Base interactions energy: -210.257
where: short stacking energy: -96.226
Base-Backbone interact. energy: -0.118
local terms energy: -104.170056
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -22.854
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -29.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -284.848446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.848446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.848446 (E_RNA)
where:
Base-Base interactions energy: -181.301
where: short stacking energy: -93.712
Base-Backbone interact. energy: -0.032
local terms energy: -103.515007
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -27.112
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: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -308.681526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.681526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.681526 (E_RNA)
where:
Base-Base interactions energy: -202.836
where: short stacking energy: -96.911
Base-Backbone interact. energy: -0.088
local terms energy: -105.756635
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -22.321
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -28.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -251.449882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.449882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.449882 (E_RNA)
where:
Base-Base interactions energy: -153.030
where: short stacking energy: -79.098
Base-Backbone interact. energy: -0.047
local terms energy: -98.372855
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -19.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -244.463699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.463699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.463699 (E_RNA)
where:
Base-Base interactions energy: -152.511
where: short stacking energy: -82.770
Base-Backbone interact. energy: -0.752
local terms energy: -91.201189
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -10.500
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: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -211.479426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.479426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.479426 (E_RNA)
where:
Base-Base interactions energy: -125.070
where: short stacking energy: -78.105
Base-Backbone interact. energy: -1.249
local terms energy: -85.160974
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -23.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -121.775345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.775345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.775345 (E_RNA)
where:
Base-Base interactions energy: -52.047
where: short stacking energy: -42.305
Base-Backbone interact. energy: -0.311
local terms energy: -69.417119
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -4.378
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: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -107.961430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.961430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.961430 (E_RNA)
where:
Base-Base interactions energy: -35.001
where: short stacking energy: -32.213
Base-Backbone interact. energy: -0.803
local terms energy: -72.157110
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -98.408650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.408650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.408650 (E_RNA)
where:
Base-Base interactions energy: -39.821
where: short stacking energy: -31.646
Base-Backbone interact. energy: 3.317
local terms energy: -61.904577
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -20.399
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -116.592900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.592900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.592900 (E_RNA)
where:
Base-Base interactions energy: -48.585
where: short stacking energy: -47.306
Base-Backbone interact. energy: -0.181
local terms energy: -67.826928
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -12.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -327.868817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.868817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.868817 (E_RNA)
where:
Base-Base interactions energy: -212.231
where: short stacking energy: -91.840
Base-Backbone interact. energy: -0.906
local terms energy: -114.731418
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -17.114
tors. eta vs tors. theta energy: -30.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -307.366810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.366810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.366810 (E_RNA)
where:
Base-Base interactions energy: -196.697
where: short stacking energy: -98.539
Base-Backbone interact. energy: -0.102
local terms energy: -110.568080
where:
bonds (distance) C4'-P energy: -24.106
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -22.672
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -30.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -270.087448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.087448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.087448 (E_RNA)
where:
Base-Base interactions energy: -167.735
where: short stacking energy: -89.602
Base-Backbone interact. energy: -0.018
local terms energy: -102.334538
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -21.294
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -11.231
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: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -248.952614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.952614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.952614 (E_RNA)
where:
Base-Base interactions energy: -164.462
where: short stacking energy: -63.880
Base-Backbone interact. energy: 0.094
local terms energy: -84.583720
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -9.576
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: 5, replica: 9
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -241.656013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.656013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.656013 (E_RNA)
where:
Base-Base interactions energy: -151.675
where: short stacking energy: -70.593
Base-Backbone interact. energy: -1.102
local terms energy: -88.879196
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -222.809267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.809267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.809267 (E_RNA)
where:
Base-Base interactions energy: -134.438
where: short stacking energy: -85.072
Base-Backbone interact. energy: -0.015
local terms energy: -88.356706
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -21.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -131.272319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.272319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.272319 (E_RNA)
where:
Base-Base interactions energy: -62.772
where: short stacking energy: -58.958
Base-Backbone interact. energy: -0.307
local terms energy: -68.193727
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -21.342
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -9.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -113.344972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.344972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.344972 (E_RNA)
where:
Base-Base interactions energy: -50.329
where: short stacking energy: -40.657
Base-Backbone interact. energy: -0.220
local terms energy: -62.796172
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -3.501
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: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -114.131536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.131536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.131536 (E_RNA)
where:
Base-Base interactions energy: -44.237
where: short stacking energy: -42.447
Base-Backbone interact. energy: 1.065
local terms energy: -70.959137
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -19.469
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -96.638545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.638545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.638545 (E_RNA)
where:
Base-Base interactions energy: -35.165
where: short stacking energy: -31.601
Base-Backbone interact. energy: 1.061
local terms energy: -62.534875
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: 1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -313.902249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.902249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.902249 (E_RNA)
where:
Base-Base interactions energy: -206.490
where: short stacking energy: -99.734
Base-Backbone interact. energy: 1.110
local terms energy: -108.521586
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -30.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -315.154058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.154058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.154058 (E_RNA)
where:
Base-Base interactions energy: -205.308
where: short stacking energy: -86.283
Base-Backbone interact. energy: -0.433
local terms energy: -109.412806
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -24.017
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -26.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -264.962231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.962231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.962231 (E_RNA)
where:
Base-Base interactions energy: -164.633
where: short stacking energy: -85.963
Base-Backbone interact. energy: -0.538
local terms energy: -99.791581
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -23.803
flat angles C4'-P-C4' energy: -22.281
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -24.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -248.001594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.001594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.001594 (E_RNA)
where:
Base-Base interactions energy: -158.573
where: short stacking energy: -67.541
Base-Backbone interact. energy: -1.195
local terms energy: -88.233961
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -22.419
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -244.398482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.398482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.398482 (E_RNA)
where:
Base-Base interactions energy: -148.664
where: short stacking energy: -79.898
Base-Backbone interact. energy: -0.741
local terms energy: -94.993261
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -23.922
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -18.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -192.934099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.934099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.934099 (E_RNA)
where:
Base-Base interactions energy: -121.639
where: short stacking energy: -56.338
Base-Backbone interact. energy: -0.509
local terms energy: -70.785923
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -13.096
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: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -121.197554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.197554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.197554 (E_RNA)
where:
Base-Base interactions energy: -42.827
where: short stacking energy: -40.960
Base-Backbone interact. energy: -0.083
local terms energy: -78.288146
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -23.587
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -109.493002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.493002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.493002 (E_RNA)
where:
Base-Base interactions energy: -38.691
where: short stacking energy: -33.867
Base-Backbone interact. energy: -0.145
local terms energy: -70.657235
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: 0.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -94.404102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.404102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.404102 (E_RNA)
where:
Base-Base interactions energy: -29.209
where: short stacking energy: -25.288
Base-Backbone interact. energy: -0.295
local terms energy: -64.900240
where:
bonds (distance) C4'-P energy: -19.413
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -0.666
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: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -100.359366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.359366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.359366 (E_RNA)
where:
Base-Base interactions energy: -35.844
where: short stacking energy: -24.138
Base-Backbone interact. energy: -0.187
local terms energy: -64.328275
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -21.514
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: 1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -309.097357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.097357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.097357 (E_RNA)
where:
Base-Base interactions energy: -196.343
where: short stacking energy: -97.059
Base-Backbone interact. energy: 0.372
local terms energy: -113.126261
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -22.992
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -16.471
tors. eta vs tors. theta energy: -29.091
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: 10
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -318.134833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.134833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.134833 (E_RNA)
where:
Base-Base interactions energy: -221.353
where: short stacking energy: -89.077
Base-Backbone interact. energy: -0.223
local terms energy: -96.559533
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -23.064
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -25.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -265.316419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.316419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.316419 (E_RNA)
where:
Base-Base interactions energy: -166.887
where: short stacking energy: -87.358
Base-Backbone interact. energy: -0.032
local terms energy: -98.397695
where:
bonds (distance) C4'-P energy: -21.361
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -267.325894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.325894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.325894 (E_RNA)
where:
Base-Base interactions energy: -161.680
where: short stacking energy: -89.600
Base-Backbone interact. energy: -0.295
local terms energy: -105.350644
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -12.519
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: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -230.570591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.570591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.570591 (E_RNA)
where:
Base-Base interactions energy: -147.086
where: short stacking energy: -67.799
Base-Backbone interact. energy: -0.758
local terms energy: -82.726661
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -214.714111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.714111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.714111 (E_RNA)
where:
Base-Base interactions energy: -134.622
where: short stacking energy: -52.990
Base-Backbone interact. energy: -0.735
local terms energy: -79.357413
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -7.837
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: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -130.573571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.573571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.573571 (E_RNA)
where:
Base-Base interactions energy: -63.989
where: short stacking energy: -63.989
Base-Backbone interact. energy: -0.343
local terms energy: -66.241545
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -20.591
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -129.616742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.616742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.616742 (E_RNA)
where:
Base-Base interactions energy: -52.430
where: short stacking energy: -38.526
Base-Backbone interact. energy: -0.841
local terms energy: -76.346382
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -119.210053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.210053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.210053 (E_RNA)
where:
Base-Base interactions energy: -46.808
where: short stacking energy: -45.627
Base-Backbone interact. energy: -0.636
local terms energy: -71.766115
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -11.542
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: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -111.262937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.262937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.262937 (E_RNA)
where:
Base-Base interactions energy: -50.002
where: short stacking energy: -27.719
Base-Backbone interact. energy: -0.413
local terms energy: -60.847993
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: 3.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -320.534080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.534080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.534080 (E_RNA)
where:
Base-Base interactions energy: -208.811
where: short stacking energy: -96.242
Base-Backbone interact. energy: -0.481
local terms energy: -111.241917
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -23.694
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -27.398
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: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -312.414956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.414956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.414956 (E_RNA)
where:
Base-Base interactions energy: -211.093
where: short stacking energy: -93.447
Base-Backbone interact. energy: -0.338
local terms energy: -100.984478
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -29.034
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: 3, replica: 9
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -253.881199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.881199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.881199 (E_RNA)
where:
Base-Base interactions energy: -155.874
where: short stacking energy: -84.236
Base-Backbone interact. energy: -0.076
local terms energy: -97.931130
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -22.332
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: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -246.720342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.720342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.720342 (E_RNA)
where:
Base-Base interactions energy: -163.420
where: short stacking energy: -70.879
Base-Backbone interact. energy: -0.283
local terms energy: -83.017395
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -24.248
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -10.924
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: 5, replica: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -226.124081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.124081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.124081 (E_RNA)
where:
Base-Base interactions energy: -135.211
where: short stacking energy: -77.717
Base-Backbone interact. energy: -0.485
local terms energy: -90.428599
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -16.314
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: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -222.396672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.396672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.396672 (E_RNA)
where:
Base-Base interactions energy: -133.133
where: short stacking energy: -63.821
Base-Backbone interact. energy: -0.567
local terms energy: -88.696752
where:
bonds (distance) C4'-P energy: -22.848
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -17.873
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: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -127.657605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.657605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.657605 (E_RNA)
where:
Base-Base interactions energy: -56.898
where: short stacking energy: -48.047
Base-Backbone interact. energy: -0.039
local terms energy: -70.720674
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -7.808
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: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -116.588899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.588899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.588899 (E_RNA)
where:
Base-Base interactions energy: -46.776
where: short stacking energy: -46.226
Base-Backbone interact. energy: -0.058
local terms energy: -69.754973
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -10.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -105.228699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.228699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.228699 (E_RNA)
where:
Base-Base interactions energy: -44.045
where: short stacking energy: -31.627
Base-Backbone interact. energy: -2.113
local terms energy: -59.070512
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -19.677
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -4.695
tors. eta vs tors. theta energy: 0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -96.281757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.281757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.281757 (E_RNA)
where:
Base-Base interactions energy: -33.877
where: short stacking energy: -32.013
Base-Backbone interact. energy: -1.447
local terms energy: -60.957423
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: 2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -317.691828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.691828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.691828 (E_RNA)
where:
Base-Base interactions energy: -209.504
where: short stacking energy: -98.531
Base-Backbone interact. energy: -0.713
local terms energy: -107.475334
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -29.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -311.404963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.404963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.404963 (E_RNA)
where:
Base-Base interactions energy: -206.342
where: short stacking energy: -101.796
Base-Backbone interact. energy: -0.975
local terms energy: -104.088509
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -28.137
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: 3, replica: 9
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -277.846056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.846056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.846056 (E_RNA)
where:
Base-Base interactions energy: -176.139
where: short stacking energy: -73.480
Base-Backbone interact. energy: -0.372
local terms energy: -101.335881
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -16.553
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: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -245.745644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.745644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.745644 (E_RNA)
where:
Base-Base interactions energy: -153.451
where: short stacking energy: -74.508
Base-Backbone interact. energy: -0.037
local terms energy: -92.257652
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -14.433
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: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -228.905292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.905292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.905292 (E_RNA)
where:
Base-Base interactions energy: -136.648
where: short stacking energy: -62.914
Base-Backbone interact. energy: -0.962
local terms energy: -91.294824
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -234.422147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.422147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.422147 (E_RNA)
where:
Base-Base interactions energy: -147.463
where: short stacking energy: -71.640
Base-Backbone interact. energy: -0.539
local terms energy: -86.419827
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -5.623
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -152.701578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.701578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.701578 (E_RNA)
where:
Base-Base interactions energy: -85.677
where: short stacking energy: -44.464
Base-Backbone interact. energy: -0.704
local terms energy: -66.319757
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -130.073481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.073481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.073481 (E_RNA)
where:
Base-Base interactions energy: -63.335
where: short stacking energy: -43.505
Base-Backbone interact. energy: -0.095
local terms energy: -66.643121
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -9.089
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -7.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -129.174559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.174559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.174559 (E_RNA)
where:
Base-Base interactions energy: -71.195
where: short stacking energy: -40.473
Base-Backbone interact. energy: -0.246
local terms energy: -57.733274
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -7.440
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: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -103.008134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.008134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.008134 (E_RNA)
where:
Base-Base interactions energy: -37.092
where: short stacking energy: -36.733
Base-Backbone interact. energy: -0.183
local terms energy: -65.732795
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -10.832
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -293.547418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.547418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.547418 (E_RNA)
where:
Base-Base interactions energy: -194.373
where: short stacking energy: -78.504
Base-Backbone interact. energy: -1.419
local terms energy: -97.755518
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -22.227
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -22.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -305.485138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.485138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.485138 (E_RNA)
where:
Base-Base interactions energy: -194.500
where: short stacking energy: -92.776
Base-Backbone interact. energy: -0.129
local terms energy: -110.856978
where:
bonds (distance) C4'-P energy: -23.841
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -25.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -273.342383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.342383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.342383 (E_RNA)
where:
Base-Base interactions energy: -170.175
where: short stacking energy: -92.546
Base-Backbone interact. energy: -1.117
local terms energy: -102.050545
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -22.819
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -27.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -244.992682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.992682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.992682 (E_RNA)
where:
Base-Base interactions energy: -150.206
where: short stacking energy: -62.606
Base-Backbone interact. energy: -0.271
local terms energy: -94.515359
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -20.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -236.800237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.800237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.800237 (E_RNA)
where:
Base-Base interactions energy: -142.684
where: short stacking energy: -67.306
Base-Backbone interact. energy: 0.943
local terms energy: -95.059759
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -21.391
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -184.285466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.285466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.285466 (E_RNA)
where:
Base-Base interactions energy: -104.959
where: short stacking energy: -61.126
Base-Backbone interact. energy: -0.079
local terms energy: -79.247940
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -131.959176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.959176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.959176 (E_RNA)
where:
Base-Base interactions energy: -56.178
where: short stacking energy: -46.413
Base-Backbone interact. energy: -0.088
local terms energy: -75.692526
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -13.700
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: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -113.769314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.769314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.769314 (E_RNA)
where:
Base-Base interactions energy: -50.645
where: short stacking energy: -42.616
Base-Backbone interact. energy: -0.440
local terms energy: -62.684704
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -1.844
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: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -115.255620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.255620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.255620 (E_RNA)
where:
Base-Base interactions energy: -53.410
where: short stacking energy: -41.508
Base-Backbone interact. energy: -0.020
local terms energy: -61.825240
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: -7.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -99.481360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.481360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.481360 (E_RNA)
where:
Base-Base interactions energy: -32.762
where: short stacking energy: -32.009
Base-Backbone interact. energy: 0.811
local terms energy: -67.530802
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -1.367
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: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -320.290992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.290992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.290992 (E_RNA)
where:
Base-Base interactions energy: -216.768
where: short stacking energy: -93.105
Base-Backbone interact. energy: 1.635
local terms energy: -105.158735
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -21.872
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -27.914
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: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -304.810902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.810902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.810902 (E_RNA)
where:
Base-Base interactions energy: -199.508
where: short stacking energy: -84.138
Base-Backbone interact. energy: -0.154
local terms energy: -105.149341
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -22.722
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -22.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -274.682961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.682961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.682961 (E_RNA)
where:
Base-Base interactions energy: -165.492
where: short stacking energy: -88.739
Base-Backbone interact. energy: -0.092
local terms energy: -109.098949
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -28.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -249.719194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.719194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.719194 (E_RNA)
where:
Base-Base interactions energy: -156.361
where: short stacking energy: -82.363
Base-Backbone interact. energy: -0.010
local terms energy: -93.347534
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -23.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -250.354818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.354818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.354818 (E_RNA)
where:
Base-Base interactions energy: -157.513
where: short stacking energy: -74.715
Base-Backbone interact. energy: -1.264
local terms energy: -91.578131
where:
bonds (distance) C4'-P energy: -23.621
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -20.129
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -189.609525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.609525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.609525 (E_RNA)
where:
Base-Base interactions energy: -103.341
where: short stacking energy: -59.409
Base-Backbone interact. energy: -0.923
local terms energy: -85.345956
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -21.541
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -136.471895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.471895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.471895 (E_RNA)
where:
Base-Base interactions energy: -55.827
where: short stacking energy: -46.252
Base-Backbone interact. energy: -0.051
local terms energy: -80.594751
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -19.328
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -14.794
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: 8, replica: 2
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -120.103332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.103332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.103332 (E_RNA)
where:
Base-Base interactions energy: -56.700
where: short stacking energy: -35.227
Base-Backbone interact. energy: -0.794
local terms energy: -62.609219
where:
bonds (distance) C4'-P energy: -19.493
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -8.923
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -3.674
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: 9, replica: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -117.656289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.656289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.656289 (E_RNA)
where:
Base-Base interactions energy: -45.441
where: short stacking energy: -36.150
Base-Backbone interact. energy: -0.267
local terms energy: -71.948320
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -111.145245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.145245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.145245 (E_RNA)
where:
Base-Base interactions energy: -37.921
where: short stacking energy: -35.622
Base-Backbone interact. energy: -0.136
local terms energy: -73.088079
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -8.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -303.709972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.709972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.709972 (E_RNA)
where:
Base-Base interactions energy: -202.221
where: short stacking energy: -90.780
Base-Backbone interact. energy: -0.339
local terms energy: -101.150057
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -22.075
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -26.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -303.236136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.236136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.236136 (E_RNA)
where:
Base-Base interactions energy: -198.974
where: short stacking energy: -83.741
Base-Backbone interact. energy: 1.100
local terms energy: -105.362387
where:
bonds (distance) C4'-P energy: -25.087
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -12.932
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: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -264.031107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.031107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.031107 (E_RNA)
where:
Base-Base interactions energy: -164.670
where: short stacking energy: -85.719
Base-Backbone interact. energy: -0.373
local terms energy: -98.987727
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -26.863
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: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -249.211213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.211213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.211213 (E_RNA)
where:
Base-Base interactions energy: -150.848
where: short stacking energy: -82.371
Base-Backbone interact. energy: -0.056
local terms energy: -98.307379
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -25.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -192.044815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.044815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.044815 (E_RNA)
where:
Base-Base interactions energy: -106.636
where: short stacking energy: -58.369
Base-Backbone interact. energy: -1.342
local terms energy: -84.067294
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -222.039762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.039762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.039762 (E_RNA)
where:
Base-Base interactions energy: -142.240
where: short stacking energy: -63.151
Base-Backbone interact. energy: -1.135
local terms energy: -78.664555
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -11.178
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: 7, replica: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -136.505678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.505678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.505678 (E_RNA)
where:
Base-Base interactions energy: -68.653
where: short stacking energy: -45.617
Base-Backbone interact. energy: -1.015
local terms energy: -66.837740
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -147.015807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.015807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.015807 (E_RNA)
where:
Base-Base interactions energy: -73.521
where: short stacking energy: -44.558
Base-Backbone interact. energy: 1.915
local terms energy: -75.409670
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -5.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -109.387139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.387139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.387139 (E_RNA)
where:
Base-Base interactions energy: -43.053
where: short stacking energy: -40.671
Base-Backbone interact. energy: -0.183
local terms energy: -66.151622
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -10.001
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: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -114.208401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.208401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.208401 (E_RNA)
where:
Base-Base interactions energy: -45.716
where: short stacking energy: -39.363
Base-Backbone interact. energy: 0.173
local terms energy: -68.665339
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -303.414271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.414271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.414271 (E_RNA)
where:
Base-Base interactions energy: -196.091
where: short stacking energy: -87.508
Base-Backbone interact. energy: -0.816
local terms energy: -106.507730
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -22.356
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -24.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -309.317803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.317803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.317803 (E_RNA)
where:
Base-Base interactions energy: -202.652
where: short stacking energy: -87.825
Base-Backbone interact. energy: -1.754
local terms energy: -104.911780
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -22.176
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -24.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -268.562759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.562759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.562759 (E_RNA)
where:
Base-Base interactions energy: -162.268
where: short stacking energy: -79.033
Base-Backbone interact. energy: -0.723
local terms energy: -105.571604
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -19.384
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -18.395
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: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -245.523445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.523445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.523445 (E_RNA)
where:
Base-Base interactions energy: -160.805
where: short stacking energy: -93.453
Base-Backbone interact. energy: 1.106
local terms energy: -85.824765
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -20.858
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -208.744156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.744156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.744156 (E_RNA)
where:
Base-Base interactions energy: -125.267
where: short stacking energy: -75.855
Base-Backbone interact. energy: -0.011
local terms energy: -83.465677
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -240.031172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.031172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.031172 (E_RNA)
where:
Base-Base interactions energy: -141.609
where: short stacking energy: -68.627
Base-Backbone interact. energy: -0.041
local terms energy: -98.380700
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -17.329
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: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -151.572482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.572482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.572482 (E_RNA)
where:
Base-Base interactions energy: -81.494
where: short stacking energy: -50.521
Base-Backbone interact. energy: -1.339
local terms energy: -68.739720
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -124.452874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.452874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.452874 (E_RNA)
where:
Base-Base interactions energy: -37.311
where: short stacking energy: -36.964
Base-Backbone interact. energy: -1.025
local terms energy: -86.117074
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -22.792
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -8.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -145.509616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.509616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.509616 (E_RNA)
where:
Base-Base interactions energy: -74.806
where: short stacking energy: -50.669
Base-Backbone interact. energy: -0.393
local terms energy: -70.310456
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -7.933
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: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -106.302331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.302331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.302331 (E_RNA)
where:
Base-Base interactions energy: -38.107
where: short stacking energy: -25.739
Base-Backbone interact. energy: 0.133
local terms energy: -68.327707
where:
bonds (distance) C4'-P energy: -23.923
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -309.629034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.629034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.629034 (E_RNA)
where:
Base-Base interactions energy: -198.027
where: short stacking energy: -83.279
Base-Backbone interact. energy: -2.568
local terms energy: -109.033470
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -28.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -288.042481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.042481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.042481 (E_RNA)
where:
Base-Base interactions energy: -189.213
where: short stacking energy: -86.212
Base-Backbone interact. energy: 0.096
local terms energy: -98.925547
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -287.889432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.889432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.889432 (E_RNA)
where:
Base-Base interactions energy: -180.312
where: short stacking energy: -96.040
Base-Backbone interact. energy: -0.668
local terms energy: -106.909141
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -22.811
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -30.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -262.541755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.541755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.541755 (E_RNA)
where:
Base-Base interactions energy: -167.236
where: short stacking energy: -75.493
Base-Backbone interact. energy: -0.116
local terms energy: -95.190677
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -15.053
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: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -239.028740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.028740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.028740 (E_RNA)
where:
Base-Base interactions energy: -152.226
where: short stacking energy: -77.361
Base-Backbone interact. energy: -0.251
local terms energy: -86.551423
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -23.180
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -15.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -182.890387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.890387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.890387 (E_RNA)
where:
Base-Base interactions energy: -102.784
where: short stacking energy: -64.393
Base-Backbone interact. energy: -0.209
local terms energy: -79.897195
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -14.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -116.022316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.022316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.022316 (E_RNA)
where:
Base-Base interactions energy: -42.939
where: short stacking energy: -31.544
Base-Backbone interact. energy: -0.033
local terms energy: -73.050175
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -4.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -138.943872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.943872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.943872 (E_RNA)
where:
Base-Base interactions energy: -70.942
where: short stacking energy: -44.838
Base-Backbone interact. energy: -1.363
local terms energy: -66.638481
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -5.320
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: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -122.726890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.726890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.726890 (E_RNA)
where:
Base-Base interactions energy: -60.090
where: short stacking energy: -44.760
Base-Backbone interact. energy: 0.027
local terms energy: -62.663452
where:
bonds (distance) C4'-P energy: -18.428
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -113.700061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.700061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.700061 (E_RNA)
where:
Base-Base interactions energy: -50.572
where: short stacking energy: -31.232
Base-Backbone interact. energy: 0.230
local terms energy: -63.358240
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -0.148
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: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -306.485405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.485405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.485405 (E_RNA)
where:
Base-Base interactions energy: -195.917
where: short stacking energy: -98.885
Base-Backbone interact. energy: -0.144
local terms energy: -110.424184
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -25.699
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -29.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -285.583957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.583957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.583957 (E_RNA)
where:
Base-Base interactions energy: -175.828
where: short stacking energy: -91.879
Base-Backbone interact. energy: -0.157
local terms energy: -109.598741
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -20.653
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -28.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -278.367786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.367786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.367786 (E_RNA)
where:
Base-Base interactions energy: -181.310
where: short stacking energy: -89.575
Base-Backbone interact. energy: 1.766
local terms energy: -98.823008
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -24.165
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -22.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -250.600854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.600854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.600854 (E_RNA)
where:
Base-Base interactions energy: -159.491
where: short stacking energy: -87.632
Base-Backbone interact. energy: -0.092
local terms energy: -91.017434
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -25.323
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: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -244.964682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.964682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.964682 (E_RNA)
where:
Base-Base interactions energy: -158.071
where: short stacking energy: -68.853
Base-Backbone interact. energy: -1.927
local terms energy: -84.966713
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -167.551506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.551506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.551506 (E_RNA)
where:
Base-Base interactions energy: -91.023
where: short stacking energy: -46.134
Base-Backbone interact. energy: 0.155
local terms energy: -76.684073
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -11.273
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: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -123.646877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.646877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.646877 (E_RNA)
where:
Base-Base interactions energy: -51.446
where: short stacking energy: -42.427
Base-Backbone interact. energy: -0.552
local terms energy: -71.648752
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -22.692
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -117.760803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.760803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.760803 (E_RNA)
where:
Base-Base interactions energy: -45.737
where: short stacking energy: -29.119
Base-Backbone interact. energy: -0.408
local terms energy: -71.614936
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: 0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -100.506953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.506953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.506953 (E_RNA)
where:
Base-Base interactions energy: -35.289
where: short stacking energy: -25.100
Base-Backbone interact. energy: -0.182
local terms energy: -65.035471
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: 2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -109.163934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.163934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.163934 (E_RNA)
where:
Base-Base interactions energy: -41.613
where: short stacking energy: -35.561
Base-Backbone interact. energy: 0.101
local terms energy: -67.652326
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -20.866
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -274.866261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.866261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.866261 (E_RNA)
where:
Base-Base interactions energy: -173.291
where: short stacking energy: -91.834
Base-Backbone interact. energy: -0.111
local terms energy: -101.463734
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -24.778
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -15.248
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: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -305.527161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.527161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.527161 (E_RNA)
where:
Base-Base interactions energy: -194.916
where: short stacking energy: -102.162
Base-Backbone interact. energy: -0.063
local terms energy: -110.549009
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -23.219
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -30.222
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: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -275.465954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.465954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.465954 (E_RNA)
where:
Base-Base interactions energy: -177.030
where: short stacking energy: -86.196
Base-Backbone interact. energy: 0.177
local terms energy: -98.612136
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -22.774
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -29.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -237.134489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.134489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.134489 (E_RNA)
where:
Base-Base interactions energy: -150.981
where: short stacking energy: -77.310
Base-Backbone interact. energy: -0.145
local terms energy: -86.008090
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -17.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -231.738132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.738132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.738132 (E_RNA)
where:
Base-Base interactions energy: -149.007
where: short stacking energy: -65.159
Base-Backbone interact. energy: -0.279
local terms energy: -82.452530
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -22.304
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -13.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -159.683278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.683278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.683278 (E_RNA)
where:
Base-Base interactions energy: -79.011
where: short stacking energy: -40.849
Base-Backbone interact. energy: 0.551
local terms energy: -81.222649
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -144.084434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.084434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.084434 (E_RNA)
where:
Base-Base interactions energy: -67.811
where: short stacking energy: -41.137
Base-Backbone interact. energy: -0.558
local terms energy: -75.714931
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -122.063018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.063018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.063018 (E_RNA)
where:
Base-Base interactions energy: -42.942
where: short stacking energy: -42.942
Base-Backbone interact. energy: -0.205
local terms energy: -78.916119
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -100.811313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.811313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.811313 (E_RNA)
where:
Base-Base interactions energy: -32.785
where: short stacking energy: -21.488
Base-Backbone interact. energy: 0.342
local terms energy: -68.368905
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -11.577
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: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -105.058433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.058433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.058433 (E_RNA)
where:
Base-Base interactions energy: -37.463
where: short stacking energy: -22.470
Base-Backbone interact. energy: -1.029
local terms energy: -66.566370
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: 2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -289.747410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.747410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.747410 (E_RNA)
where:
Base-Base interactions energy: -182.138
where: short stacking energy: -109.709
Base-Backbone interact. energy: 0.074
local terms energy: -107.683424
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -20.761
flat angles C4'-P-C4' energy: -25.552
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -27.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -308.982098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.982098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.982098 (E_RNA)
where:
Base-Base interactions energy: -199.522
where: short stacking energy: -107.671
Base-Backbone interact. energy: -0.253
local terms energy: -109.207110
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -23.373
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -34.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -282.952250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.952250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.952250 (E_RNA)
where:
Base-Base interactions energy: -182.251
where: short stacking energy: -80.194
Base-Backbone interact. energy: 0.662
local terms energy: -101.362423
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -28.638
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: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -236.820522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.820522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.820522 (E_RNA)
where:
Base-Base interactions energy: -156.779
where: short stacking energy: -67.784
Base-Backbone interact. energy: -0.117
local terms energy: -79.923832
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -8.222
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: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -233.727535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.727535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.727535 (E_RNA)
where:
Base-Base interactions energy: -137.814
where: short stacking energy: -75.814
Base-Backbone interact. energy: -0.284
local terms energy: -95.628835
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -20.739
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -177.794599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.794599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.794599 (E_RNA)
where:
Base-Base interactions energy: -98.407
where: short stacking energy: -56.309
Base-Backbone interact. energy: -1.392
local terms energy: -77.996204
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -20.776
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -135.672172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.672172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.672172 (E_RNA)
where:
Base-Base interactions energy: -63.343
where: short stacking energy: -37.545
Base-Backbone interact. energy: -0.233
local terms energy: -72.096716
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -130.855829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.855829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.855829 (E_RNA)
where:
Base-Base interactions energy: -64.050
where: short stacking energy: -39.408
Base-Backbone interact. energy: -0.488
local terms energy: -66.318223
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -7.407
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: 9, replica: 2
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -101.015546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.015546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.015546 (E_RNA)
where:
Base-Base interactions energy: -47.839
where: short stacking energy: -41.536
Base-Backbone interact. energy: -1.131
local terms energy: -52.045049
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -0.455
tors. eta vs tors. theta energy: -0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -98.066266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.066266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.066266 (E_RNA)
where:
Base-Base interactions energy: -43.506
where: short stacking energy: -39.364
Base-Backbone interact. energy: -0.159
local terms energy: -54.401607
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -21.137
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: 3.978
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -322.642189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.642189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.642189 (E_RNA)
where:
Base-Base interactions energy: -204.586
where: short stacking energy: -108.706
Base-Backbone interact. energy: -0.120
local terms energy: -117.936792
where:
bonds (distance) C4'-P energy: -23.416
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -29.780
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: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -292.519754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.519754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.519754 (E_RNA)
where:
Base-Base interactions energy: -181.051
where: short stacking energy: -106.204
Base-Backbone interact. energy: 0.229
local terms energy: -111.697356
where:
bonds (distance) C4'-P energy: -22.514
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -32.139
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: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -244.466882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.466882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.466882 (E_RNA)
where:
Base-Base interactions energy: -156.179
where: short stacking energy: -68.277
Base-Backbone interact. energy: -0.798
local terms energy: -87.490043
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -21.561
flat angles C4'-P-C4' energy: -22.242
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -282.222500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.222500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.222500 (E_RNA)
where:
Base-Base interactions energy: -185.406
where: short stacking energy: -78.690
Base-Backbone interact. energy: -0.576
local terms energy: -96.240924
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -24.923
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: 74
Temperature: 1.100000
Total energy: -228.329197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.329197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.329197 (E_RNA)
where:
Base-Base interactions energy: -129.996
where: short stacking energy: -78.790
Base-Backbone interact. energy: -0.005
local terms energy: -98.327991
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -24.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -124.871487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.871487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.871487 (E_RNA)
where:
Base-Base interactions energy: -50.470
where: short stacking energy: -50.470
Base-Backbone interact. energy: -0.284
local terms energy: -74.117489
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -3.468
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: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -172.083331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.083331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.083331 (E_RNA)
where:
Base-Base interactions energy: -94.427
where: short stacking energy: -61.476
Base-Backbone interact. energy: -0.344
local terms energy: -77.312112
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -21.681
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -124.175859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.175859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.175859 (E_RNA)
where:
Base-Base interactions energy: -50.284
where: short stacking energy: -45.930
Base-Backbone interact. energy: -0.334
local terms energy: -73.557776
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -12.312
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: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -126.889275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.889275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.889275 (E_RNA)
where:
Base-Base interactions energy: -60.063
where: short stacking energy: -46.201
Base-Backbone interact. energy: -0.199
local terms energy: -66.627484
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -4.067
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: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -99.488098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.488098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.488098 (E_RNA)
where:
Base-Base interactions energy: -41.071
where: short stacking energy: -41.071
Base-Backbone interact. energy: 1.254
local terms energy: -59.671586
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -315.471035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.471035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.471035 (E_RNA)
where:
Base-Base interactions energy: -200.972
where: short stacking energy: -102.701
Base-Backbone interact. energy: -0.311
local terms energy: -114.187892
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -30.876
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: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -294.774438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.774438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.774438 (E_RNA)
where:
Base-Base interactions energy: -193.859
where: short stacking energy: -91.702
Base-Backbone interact. energy: -0.175
local terms energy: -100.740012
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -30.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -259.226976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.226976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.226976 (E_RNA)
where:
Base-Base interactions energy: -160.012
where: short stacking energy: -84.022
Base-Backbone interact. energy: -0.428
local terms energy: -98.786862
where:
bonds (distance) C4'-P energy: -21.520
bonds (distance) P-C4' energy: -22.053
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -283.930257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.930257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.930257 (E_RNA)
where:
Base-Base interactions energy: -180.207
where: short stacking energy: -89.138
Base-Backbone interact. energy: -0.936
local terms energy: -102.787107
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -24.449
flat angles C4'-P-C4' energy: -22.843
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -23.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -221.136869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.136869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.136869 (E_RNA)
where:
Base-Base interactions energy: -137.724
where: short stacking energy: -79.847
Base-Backbone interact. energy: -0.143
local terms energy: -83.269365
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -4.780
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -180.406834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.406834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.406834 (E_RNA)
where:
Base-Base interactions energy: -109.371
where: short stacking energy: -56.141
Base-Backbone interact. energy: -0.606
local terms energy: -70.429789
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -13.508
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: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -138.004790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.004790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.004790 (E_RNA)
where:
Base-Base interactions energy: -65.471
where: short stacking energy: -54.060
Base-Backbone interact. energy: -0.085
local terms energy: -72.448401
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -11.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -123.598430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.598430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.598430 (E_RNA)
where:
Base-Base interactions energy: -40.290
where: short stacking energy: -40.290
Base-Backbone interact. energy: -0.204
local terms energy: -83.104534
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -9.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -102.101915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.101915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.101915 (E_RNA)
where:
Base-Base interactions energy: -40.714
where: short stacking energy: -34.800
Base-Backbone interact. energy: -0.253
local terms energy: -61.134882
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -19.973
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: 6.907
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: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -114.489592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.489592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.489592 (E_RNA)
where:
Base-Base interactions energy: -45.247
where: short stacking energy: -32.754
Base-Backbone interact. energy: 0.449
local terms energy: -69.692102
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -311.326639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.326639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.326639 (E_RNA)
where:
Base-Base interactions energy: -199.821
where: short stacking energy: -102.259
Base-Backbone interact. energy: -0.479
local terms energy: -111.025992
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -21.433
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -32.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -286.395111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.395111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.395111 (E_RNA)
where:
Base-Base interactions energy: -174.295
where: short stacking energy: -100.147
Base-Backbone interact. energy: -0.007
local terms energy: -112.093301
where:
bonds (distance) C4'-P energy: -23.401
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -17.829
tors. eta vs tors. theta energy: -25.888
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: 76
Temperature: 1.000000
Total energy: -295.051123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.051123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.051123 (E_RNA)
where:
Base-Base interactions energy: -194.644
where: short stacking energy: -104.959
Base-Backbone interact. energy: -0.308
local terms energy: -100.098995
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -22.221
flat angles P-C4'-P energy: -14.551
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: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -253.136114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.136114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.136114 (E_RNA)
where:
Base-Base interactions energy: -165.276
where: short stacking energy: -88.833
Base-Backbone interact. energy: -0.016
local terms energy: -87.844471
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -236.329282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.329282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.329282 (E_RNA)
where:
Base-Base interactions energy: -155.695
where: short stacking energy: -69.132
Base-Backbone interact. energy: -0.386
local terms energy: -80.248088
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -9.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -227.406024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.406024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.406024 (E_RNA)
where:
Base-Base interactions energy: -137.303
where: short stacking energy: -71.740
Base-Backbone interact. energy: 1.193
local terms energy: -91.295161
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -26.339
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -13.707
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: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -123.131751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.131751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.131751 (E_RNA)
where:
Base-Base interactions energy: -57.903
where: short stacking energy: -48.800
Base-Backbone interact. energy: -0.300
local terms energy: -64.928317
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -9.399
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: 8, replica: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -122.357535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.357535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.357535 (E_RNA)
where:
Base-Base interactions energy: -50.621
where: short stacking energy: -43.779
Base-Backbone interact. energy: -0.256
local terms energy: -71.481057
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -107.430114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.430114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.430114 (E_RNA)
where:
Base-Base interactions energy: -51.545
where: short stacking energy: -29.919
Base-Backbone interact. energy: -0.725
local terms energy: -55.160341
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: 8.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -95.292609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.292609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.292609 (E_RNA)
where:
Base-Base interactions energy: -29.133
where: short stacking energy: -28.819
Base-Backbone interact. energy: -1.009
local terms energy: -65.151219
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -310.629934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.629934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.629934 (E_RNA)
where:
Base-Base interactions energy: -203.651
where: short stacking energy: -92.194
Base-Backbone interact. energy: -0.385
local terms energy: -106.594355
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -22.532
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -28.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -308.768559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.768559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.768559 (E_RNA)
where:
Base-Base interactions energy: -202.722
where: short stacking energy: -97.207
Base-Backbone interact. energy: -0.186
local terms energy: -105.860864
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -23.885
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -28.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -285.053451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.053451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.053451 (E_RNA)
where:
Base-Base interactions energy: -181.343
where: short stacking energy: -93.024
Base-Backbone interact. energy: -0.030
local terms energy: -103.680456
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -26.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -250.532924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.532924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.532924 (E_RNA)
where:
Base-Base interactions energy: -145.920
where: short stacking energy: -87.601
Base-Backbone interact. energy: -0.238
local terms energy: -104.375176
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -24.787
flat angles P-C4'-P energy: -18.562
tors. eta vs tors. theta energy: -19.329
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: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -204.331188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.331188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.331188 (E_RNA)
where:
Base-Base interactions energy: -127.896
where: short stacking energy: -64.955
Base-Backbone interact. energy: -0.254
local terms energy: -76.180457
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -20.819
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -15.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -218.124054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.124054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.124054 (E_RNA)
where:
Base-Base interactions energy: -134.407
where: short stacking energy: -64.442
Base-Backbone interact. energy: -0.574
local terms energy: -83.142453
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -12.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -134.073311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.073311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.073311 (E_RNA)
where:
Base-Base interactions energy: -53.832
where: short stacking energy: -53.832
Base-Backbone interact. energy: -0.033
local terms energy: -80.207625
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -22.778
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -109.221368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.221368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.221368 (E_RNA)
where:
Base-Base interactions energy: -41.276
where: short stacking energy: -34.309
Base-Backbone interact. energy: -0.036
local terms energy: -67.908836
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -11.010
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: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -115.807590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.807590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.807590 (E_RNA)
where:
Base-Base interactions energy: -43.095
where: short stacking energy: -39.273
Base-Backbone interact. energy: 1.529
local terms energy: -74.241840
where:
bonds (distance) C4'-P energy: -21.990
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -8.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -112.436523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.436523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.436523 (E_RNA)
where:
Base-Base interactions energy: -41.691
where: short stacking energy: -36.445
Base-Backbone interact. energy: 0.287
local terms energy: -71.033087
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -7.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -295.368813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.368813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.368813 (E_RNA)
where:
Base-Base interactions energy: -198.815
where: short stacking energy: -92.587
Base-Backbone interact. energy: 0.241
local terms energy: -96.794078
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -24.079
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: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -302.101444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.101444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.101444 (E_RNA)
where:
Base-Base interactions energy: -195.490
where: short stacking energy: -99.803
Base-Backbone interact. energy: -0.698
local terms energy: -105.913489
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -21.814
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -29.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -259.252837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.252837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.252837 (E_RNA)
where:
Base-Base interactions energy: -158.423
where: short stacking energy: -86.394
Base-Backbone interact. energy: -0.437
local terms energy: -100.392448
where:
bonds (distance) C4'-P energy: -21.095
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -23.331
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -19.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -274.633938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.633938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.633938 (E_RNA)
where:
Base-Base interactions energy: -173.325
where: short stacking energy: -91.617
Base-Backbone interact. energy: -0.264
local terms energy: -101.045318
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -20.261
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -23.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -197.878401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.878401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.878401 (E_RNA)
where:
Base-Base interactions energy: -98.724
where: short stacking energy: -63.817
Base-Backbone interact. energy: -0.416
local terms energy: -98.737867
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -21.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -181.249679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.249679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.249679 (E_RNA)
where:
Base-Base interactions energy: -100.960
where: short stacking energy: -57.385
Base-Backbone interact. energy: 1.803
local terms energy: -82.092275
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -14.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -135.966040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.966040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.966040 (E_RNA)
where:
Base-Base interactions energy: -65.016
where: short stacking energy: -39.751
Base-Backbone interact. energy: -0.695
local terms energy: -70.254650
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -8.441
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: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -116.859495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.859495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.859495 (E_RNA)
where:
Base-Base interactions energy: -44.065
where: short stacking energy: -40.562
Base-Backbone interact. energy: 0.501
local terms energy: -73.295490
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -6.711
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: 3
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -124.946130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.946130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.946130 (E_RNA)
where:
Base-Base interactions energy: -61.841
where: short stacking energy: -42.137
Base-Backbone interact. energy: -0.415
local terms energy: -62.690358
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -4.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -102.300819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.300819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.300819 (E_RNA)
where:
Base-Base interactions energy: -29.401
where: short stacking energy: -30.201
Base-Backbone interact. energy: 0.192
local terms energy: -73.091599
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -4.852
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: 1, replica: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -306.446200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.446200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.446200 (E_RNA)
where:
Base-Base interactions energy: -205.063
where: short stacking energy: -98.997
Base-Backbone interact. energy: -0.305
local terms energy: -101.077828
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -22.997
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -26.978
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: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -295.096043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.096043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.096043 (E_RNA)
where:
Base-Base interactions energy: -190.513
where: short stacking energy: -84.588
Base-Backbone interact. energy: -0.094
local terms energy: -104.488446
where:
bonds (distance) C4'-P energy: -22.793
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -26.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -252.272182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.272182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.272182 (E_RNA)
where:
Base-Base interactions energy: -161.134
where: short stacking energy: -83.377
Base-Backbone interact. energy: -0.149
local terms energy: -90.989352
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -14.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -238.006472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.006472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.006472 (E_RNA)
where:
Base-Base interactions energy: -139.481
where: short stacking energy: -80.862
Base-Backbone interact. energy: 0.254
local terms energy: -98.779838
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -15.971
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: 5, replica: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -263.795690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.795690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.795690 (E_RNA)
where:
Base-Base interactions energy: -160.342
where: short stacking energy: -76.357
Base-Backbone interact. energy: -0.920
local terms energy: -102.533924
where:
bonds (distance) C4'-P energy: -19.887
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -24.858
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -26.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -212.402167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.402167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.402167 (E_RNA)
where:
Base-Base interactions energy: -130.123
where: short stacking energy: -54.541
Base-Backbone interact. energy: -0.506
local terms energy: -81.772876
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -12.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -175.900339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.900339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.900339 (E_RNA)
where:
Base-Base interactions energy: -103.852
where: short stacking energy: -54.785
Base-Backbone interact. energy: -0.223
local terms energy: -71.825681
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -20.385
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -9.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -130.311141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.311141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.311141 (E_RNA)
where:
Base-Base interactions energy: -56.846
where: short stacking energy: -37.019
Base-Backbone interact. energy: -0.022
local terms energy: -73.442855
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -106.363746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.363746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.363746 (E_RNA)
where:
Base-Base interactions energy: -35.399
where: short stacking energy: -33.474
Base-Backbone interact. energy: -0.353
local terms energy: -70.611706
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -97.250938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.250938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.250938 (E_RNA)
where:
Base-Base interactions energy: -41.269
where: short stacking energy: -36.840
Base-Backbone interact. energy: -0.078
local terms energy: -55.904828
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -312.967446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.967446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.967446 (E_RNA)
where:
Base-Base interactions energy: -207.321
where: short stacking energy: -99.804
Base-Backbone interact. energy: -0.343
local terms energy: -105.303432
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -29.530
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: 80
Temperature: 0.950000
Total energy: -305.173260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.173260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.173260 (E_RNA)
where:
Base-Base interactions energy: -206.238
where: short stacking energy: -93.918
Base-Backbone interact. energy: -0.505
local terms energy: -98.430763
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -26.005
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: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -254.204283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.204283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.204283 (E_RNA)
where:
Base-Base interactions energy: -160.430
where: short stacking energy: -82.576
Base-Backbone interact. energy: -0.102
local terms energy: -93.671854
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -22.688
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -9.153
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: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -238.808398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.808398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.808398 (E_RNA)
where:
Base-Base interactions energy: -147.302
where: short stacking energy: -75.998
Base-Backbone interact. energy: -0.332
local terms energy: -91.174387
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -20.399
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -18.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -238.237784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.237784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.237784 (E_RNA)
where:
Base-Base interactions energy: -160.559
where: short stacking energy: -71.167
Base-Backbone interact. energy: -0.361
local terms energy: -77.318215
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -17.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -231.623720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.623720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.623720 (E_RNA)
where:
Base-Base interactions energy: -137.962
where: short stacking energy: -71.414
Base-Backbone interact. energy: 0.589
local terms energy: -94.251014
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -12.031
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: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -140.590283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.590283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.590283 (E_RNA)
where:
Base-Base interactions energy: -66.532
where: short stacking energy: -36.790
Base-Backbone interact. energy: -0.242
local terms energy: -73.816728
where:
bonds (distance) C4'-P energy: -21.059
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -14.499
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: 8, replica: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -110.104761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.104761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.104761 (E_RNA)
where:
Base-Base interactions energy: -37.285
where: short stacking energy: -37.137
Base-Backbone interact. energy: 0.547
local terms energy: -73.366646
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -101.746030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.746030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.746030 (E_RNA)
where:
Base-Base interactions energy: -37.309
where: short stacking energy: -31.002
Base-Backbone interact. energy: 1.327
local terms energy: -65.764554
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -12.890
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: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -98.290439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.290439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.290439 (E_RNA)
where:
Base-Base interactions energy: -39.684
where: short stacking energy: -31.044
Base-Backbone interact. energy: -0.790
local terms energy: -57.815904
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -10.116
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)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -315.352061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.352061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.352061 (E_RNA)
where:
Base-Base interactions energy: -204.136
where: short stacking energy: -105.821
Base-Backbone interact. energy: -0.692
local terms energy: -110.524200
where:
bonds (distance) C4'-P energy: -22.037
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -16.025
tors. eta vs tors. theta energy: -31.098
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: 5
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -302.721993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.721993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.721993 (E_RNA)
where:
Base-Base interactions energy: -201.726
where: short stacking energy: -83.237
Base-Backbone interact. energy: 0.384
local terms energy: -101.380448
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -16.284
tors. eta vs tors. theta energy: -22.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -252.115761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.115761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.115761 (E_RNA)
where:
Base-Base interactions energy: -154.163
where: short stacking energy: -86.921
Base-Backbone interact. energy: -1.924
local terms energy: -96.028629
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -23.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -240.044995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.044995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.044995 (E_RNA)
where:
Base-Base interactions energy: -147.511
where: short stacking energy: -78.701
Base-Backbone interact. energy: -0.287
local terms energy: -92.246584
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -20.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -226.950310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.950310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.950310 (E_RNA)
where:
Base-Base interactions energy: -138.892
where: short stacking energy: -73.255
Base-Backbone interact. energy: -0.766
local terms energy: -87.292266
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -22.955
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -18.635
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: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -228.892420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.892420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.892420 (E_RNA)
where:
Base-Base interactions energy: -141.087
where: short stacking energy: -77.606
Base-Backbone interact. energy: -0.096
local terms energy: -87.710016
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -11.655
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: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -116.952664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.952664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.952664 (E_RNA)
where:
Base-Base interactions energy: -41.219
where: short stacking energy: -35.489
Base-Backbone interact. energy: 0.542
local terms energy: -76.275951
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -23.953
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -16.081
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)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -115.613486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.613486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.613486 (E_RNA)
where:
Base-Base interactions energy: -56.630
where: short stacking energy: -41.615
Base-Backbone interact. energy: -0.316
local terms energy: -58.667569
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -2.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -127.628843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.628843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.628843 (E_RNA)
where:
Base-Base interactions energy: -51.742
where: short stacking energy: -51.742
Base-Backbone interact. energy: -0.020
local terms energy: -75.866641
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -12.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -105.755576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.755576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.755576 (E_RNA)
where:
Base-Base interactions energy: -33.481
where: short stacking energy: -29.529
Base-Backbone interact. energy: -0.644
local terms energy: -71.630266
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -305.828923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.828923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.828923 (E_RNA)
where:
Base-Base interactions energy: -192.962
where: short stacking energy: -100.358
Base-Backbone interact. energy: -0.738
local terms energy: -112.129018
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -24.703
flat angles P-C4'-P energy: -18.037
tors. eta vs tors. theta energy: -32.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -303.176277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.176277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.176277 (E_RNA)
where:
Base-Base interactions energy: -193.187
where: short stacking energy: -93.066
Base-Backbone interact. energy: -0.435
local terms energy: -109.554180
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -23.998
flat angles C4'-P-C4' energy: -25.277
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -27.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -276.081343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.081343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.081343 (E_RNA)
where:
Base-Base interactions energy: -165.799
where: short stacking energy: -91.954
Base-Backbone interact. energy: -0.591
local terms energy: -109.691518
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -26.322
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -26.686
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: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -242.249329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.249329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.249329 (E_RNA)
where:
Base-Base interactions energy: -154.885
where: short stacking energy: -71.577
Base-Backbone interact. energy: 1.731
local terms energy: -89.095468
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -20.381
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -14.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -250.835001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.835001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.835001 (E_RNA)
where:
Base-Base interactions energy: -155.289
where: short stacking energy: -82.582
Base-Backbone interact. energy: -0.355
local terms energy: -95.190478
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -21.202
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -23.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -224.641083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.641083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.641083 (E_RNA)
where:
Base-Base interactions energy: -150.059
where: short stacking energy: -69.545
Base-Backbone interact. energy: -1.557
local terms energy: -73.024545
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -14.366
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: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -134.206813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.206813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.206813 (E_RNA)
where:
Base-Base interactions energy: -54.841
where: short stacking energy: -50.796
Base-Backbone interact. energy: -0.217
local terms energy: -79.149331
where:
bonds (distance) C4'-P energy: -23.294
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -147.509335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.509335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.509335 (E_RNA)
where:
Base-Base interactions energy: -77.593
where: short stacking energy: -47.268
Base-Backbone interact. energy: -0.613
local terms energy: -69.302990
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -105.366441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.366441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.366441 (E_RNA)
where:
Base-Base interactions energy: -45.759
where: short stacking energy: -36.397
Base-Backbone interact. energy: -0.073
local terms energy: -59.534214
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -23.245
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -101.871841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.871841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.871841 (E_RNA)
where:
Base-Base interactions energy: -44.072
where: short stacking energy: -38.305
Base-Backbone interact. energy: -0.375
local terms energy: -57.424072
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -18.405
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: 0.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -323.303607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.303607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.303607 (E_RNA)
where:
Base-Base interactions energy: -214.588
where: short stacking energy: -97.958
Base-Backbone interact. energy: -0.239
local terms energy: -108.475727
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -14.467
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: 2, replica: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -302.588671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.588671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.588671 (E_RNA)
where:
Base-Base interactions energy: -209.981
where: short stacking energy: -93.006
Base-Backbone interact. energy: -0.160
local terms energy: -92.447590
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -20.023
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -23.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -274.861758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.861758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.861758 (E_RNA)
where:
Base-Base interactions energy: -172.100
where: short stacking energy: -90.304
Base-Backbone interact. energy: -1.137
local terms energy: -101.624091
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -11.908
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: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -241.137699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.137699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.137699 (E_RNA)
where:
Base-Base interactions energy: -159.210
where: short stacking energy: -78.170
Base-Backbone interact. energy: -0.228
local terms energy: -81.700035
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -234.514136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.514136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.514136 (E_RNA)
where:
Base-Base interactions energy: -152.634
where: short stacking energy: -75.564
Base-Backbone interact. energy: -0.278
local terms energy: -81.602497
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -224.900826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.900826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.900826 (E_RNA)
where:
Base-Base interactions energy: -135.939
where: short stacking energy: -74.103
Base-Backbone interact. energy: -0.407
local terms energy: -88.554939
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -20.140
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: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -124.122420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.122420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.122420 (E_RNA)
where:
Base-Base interactions energy: -44.608
where: short stacking energy: -40.786
Base-Backbone interact. energy: -0.502
local terms energy: -79.012379
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -6.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -135.141232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.141232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.141232 (E_RNA)
where:
Base-Base interactions energy: -58.016
where: short stacking energy: -54.108
Base-Backbone interact. energy: -0.184
local terms energy: -76.941009
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -9.135
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: 2
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -106.507915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.507915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.507915 (E_RNA)
where:
Base-Base interactions energy: -47.069
where: short stacking energy: -29.034
Base-Backbone interact. energy: -1.285
local terms energy: -58.154532
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -0.784
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: 83
Temperature: 1.350000
Total energy: -104.904991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.904991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.904991 (E_RNA)
where:
Base-Base interactions energy: -29.358
where: short stacking energy: -28.521
Base-Backbone interact. energy: 1.140
local terms energy: -76.687542
where:
bonds (distance) C4'-P energy: -20.004
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -296.541896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.541896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.541896 (E_RNA)
where:
Base-Base interactions energy: -200.405
where: short stacking energy: -85.172
Base-Backbone interact. energy: -0.784
local terms energy: -95.352642
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -12.070
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: 2, replica: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -316.226843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.226843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.226843 (E_RNA)
where:
Base-Base interactions energy: -214.435
where: short stacking energy: -96.634
Base-Backbone interact. energy: -0.246
local terms energy: -101.545282
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -28.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -277.446594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.446594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.446594 (E_RNA)
where:
Base-Base interactions energy: -175.782
where: short stacking energy: -91.058
Base-Backbone interact. energy: -0.006
local terms energy: -101.659501
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -22.859
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -28.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -266.409810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.409810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.409810 (E_RNA)
where:
Base-Base interactions energy: -164.344
where: short stacking energy: -81.175
Base-Backbone interact. energy: -0.327
local terms energy: -101.738921
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -26.108
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: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -244.516246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.516246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.516246 (E_RNA)
where:
Base-Base interactions energy: -159.785
where: short stacking energy: -66.701
Base-Backbone interact. energy: 2.509
local terms energy: -87.240057
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -22.528
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -247.059139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.059139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.059139 (E_RNA)
where:
Base-Base interactions energy: -154.918
where: short stacking energy: -74.340
Base-Backbone interact. energy: 0.603
local terms energy: -92.744456
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -23.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -147.703837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.703837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.703837 (E_RNA)
where:
Base-Base interactions energy: -79.020
where: short stacking energy: -42.441
Base-Backbone interact. energy: -0.257
local terms energy: -68.426552
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -126.190033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.190033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.190033 (E_RNA)
where:
Base-Base interactions energy: -53.102
where: short stacking energy: -43.012
Base-Backbone interact. energy: 0.719
local terms energy: -73.806394
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -117.241441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.241441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.241441 (E_RNA)
where:
Base-Base interactions energy: -48.246
where: short stacking energy: -40.125
Base-Backbone interact. energy: -0.214
local terms energy: -68.781140
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -11.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -98.186773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.186773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.186773 (E_RNA)
where:
Base-Base interactions energy: -33.198
where: short stacking energy: -31.468
Base-Backbone interact. energy: -0.477
local terms energy: -64.512191
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -295.605787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.605787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.605787 (E_RNA)
where:
Base-Base interactions energy: -189.292
where: short stacking energy: -94.401
Base-Backbone interact. energy: -0.748
local terms energy: -105.565878
where:
bonds (distance) C4'-P energy: -21.300
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -26.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -294.720383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.720383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.720383 (E_RNA)
where:
Base-Base interactions energy: -196.777
where: short stacking energy: -93.398
Base-Backbone interact. energy: -0.975
local terms energy: -96.968295
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -23.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -277.622800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.622800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.622800 (E_RNA)
where:
Base-Base interactions energy: -176.553
where: short stacking energy: -81.998
Base-Backbone interact. energy: 0.091
local terms energy: -101.160924
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -28.826
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: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -246.492561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.492561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.492561 (E_RNA)
where:
Base-Base interactions energy: -147.414
where: short stacking energy: -72.147
Base-Backbone interact. energy: -0.822
local terms energy: -98.256973
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -23.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -245.502444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.502444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.502444 (E_RNA)
where:
Base-Base interactions energy: -155.004
where: short stacking energy: -82.024
Base-Backbone interact. energy: -0.175
local terms energy: -90.323589
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -19.528
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: 85
Temperature: 1.150000
Total energy: -221.437957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.437957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.437957 (E_RNA)
where:
Base-Base interactions energy: -133.808
where: short stacking energy: -58.676
Base-Backbone interact. energy: 0.499
local terms energy: -88.128896
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -15.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -142.931127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.931127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.931127 (E_RNA)
where:
Base-Base interactions energy: -75.231
where: short stacking energy: -44.983
Base-Backbone interact. energy: -0.307
local terms energy: -67.393703
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -9.214
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: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -130.356165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.356165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.356165 (E_RNA)
where:
Base-Base interactions energy: -58.730
where: short stacking energy: -53.164
Base-Backbone interact. energy: 0.284
local terms energy: -71.910853
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -106.925969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.925969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.925969 (E_RNA)
where:
Base-Base interactions energy: -55.341
where: short stacking energy: -33.370
Base-Backbone interact. energy: -0.112
local terms energy: -51.472373
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: 2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -125.668651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.668651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.668651 (E_RNA)
where:
Base-Base interactions energy: -63.863
where: short stacking energy: -44.791
Base-Backbone interact. energy: -0.318
local terms energy: -61.488106
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -12.603
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)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -301.131762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.131762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.131762 (E_RNA)
where:
Base-Base interactions energy: -203.412
where: short stacking energy: -94.622
Base-Backbone interact. energy: 0.300
local terms energy: -98.019447
where:
bonds (distance) C4'-P energy: -24.056
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -21.362
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -29.759
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: 86
Temperature: 0.950000
Total energy: -296.121363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.121363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.121363 (E_RNA)
where:
Base-Base interactions energy: -200.603
where: short stacking energy: -95.333
Base-Backbone interact. energy: -0.487
local terms energy: -95.031354
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -25.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -283.170319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.170319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.170319 (E_RNA)
where:
Base-Base interactions energy: -180.625
where: short stacking energy: -88.384
Base-Backbone interact. energy: -0.558
local terms energy: -101.986850
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -13.252
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: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -245.594555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.594555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.594555 (E_RNA)
where:
Base-Base interactions energy: -156.099
where: short stacking energy: -86.945
Base-Backbone interact. energy: -0.041
local terms energy: -89.454681
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -16.453
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: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -259.061823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.061823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.061823 (E_RNA)
where:
Base-Base interactions energy: -179.389
where: short stacking energy: -83.035
Base-Backbone interact. energy: -0.029
local terms energy: -79.643635
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -24.007
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -21.812
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: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -227.255229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.255229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.255229 (E_RNA)
where:
Base-Base interactions energy: -148.495
where: short stacking energy: -72.609
Base-Backbone interact. energy: -0.203
local terms energy: -78.557233
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -14.612
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: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -118.631351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.631351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.631351 (E_RNA)
where:
Base-Base interactions energy: -46.415
where: short stacking energy: -40.420
Base-Backbone interact. energy: -0.296
local terms energy: -71.920711
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -117.543744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.543744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.543744 (E_RNA)
where:
Base-Base interactions energy: -49.936
where: short stacking energy: -37.423
Base-Backbone interact. energy: -0.218
local terms energy: -67.390101
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -20.554
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -120.425374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.425374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.425374 (E_RNA)
where:
Base-Base interactions energy: -51.197
where: short stacking energy: -51.197
Base-Backbone interact. energy: 1.366
local terms energy: -70.594076
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -3.434
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -106.063262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.063262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.063262 (E_RNA)
where:
Base-Base interactions energy: -49.362
where: short stacking energy: -33.083
Base-Backbone interact. energy: -0.453
local terms energy: -56.248026
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: 3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -305.029524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.029524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.029524 (E_RNA)
where:
Base-Base interactions energy: -204.623
where: short stacking energy: -86.715
Base-Backbone interact. energy: -0.881
local terms energy: -99.525238
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -26.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -311.168915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.168915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.168915 (E_RNA)
where:
Base-Base interactions energy: -208.744
where: short stacking energy: -104.022
Base-Backbone interact. energy: 0.312
local terms energy: -102.737043
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -27.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -285.666860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.666860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.666860 (E_RNA)
where:
Base-Base interactions energy: -184.318
where: short stacking energy: -101.915
Base-Backbone interact. energy: -0.623
local terms energy: -100.725565
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -30.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -277.795503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.795503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.795503 (E_RNA)
where:
Base-Base interactions energy: -180.471
where: short stacking energy: -95.960
Base-Backbone interact. energy: -0.241
local terms energy: -97.083500
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -19.727
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -11.300
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: 5, replica: 7
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -226.918201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.918201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.918201 (E_RNA)
where:
Base-Base interactions energy: -146.990
where: short stacking energy: -81.029
Base-Backbone interact. energy: -0.689
local terms energy: -79.238749
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -201.606605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.606605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.606605 (E_RNA)
where:
Base-Base interactions energy: -119.938
where: short stacking energy: -62.130
Base-Backbone interact. energy: -0.549
local terms energy: -81.120274
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -14.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -128.717965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.717965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.717965 (E_RNA)
where:
Base-Base interactions energy: -50.458
where: short stacking energy: -49.257
Base-Backbone interact. energy: -0.257
local terms energy: -78.002441
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -20.750
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -9.107
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: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -140.941368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.941368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.941368 (E_RNA)
where:
Base-Base interactions energy: -60.190
where: short stacking energy: -55.171
Base-Backbone interact. energy: 2.121
local terms energy: -82.872981
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -12.006
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: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -125.521202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.521202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.521202 (E_RNA)
where:
Base-Base interactions energy: -43.591
where: short stacking energy: -35.835
Base-Backbone interact. energy: -0.768
local terms energy: -81.162859
where:
bonds (distance) C4'-P energy: -22.806
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -20.620
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -8.465
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: 10, replica: 3
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -98.129256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.129256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.129256 (E_RNA)
where:
Base-Base interactions energy: -37.138
where: short stacking energy: -24.890
Base-Backbone interact. energy: -0.602
local terms energy: -60.389424
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: 1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -311.510595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.510595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.510595 (E_RNA)
where:
Base-Base interactions energy: -207.692
where: short stacking energy: -93.287
Base-Backbone interact. energy: -0.727
local terms energy: -103.091859
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -27.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -305.593657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.593657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.593657 (E_RNA)
where:
Base-Base interactions energy: -201.932
where: short stacking energy: -87.356
Base-Backbone interact. energy: -0.708
local terms energy: -102.954421
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -24.100
flat angles P-C4'-P energy: -18.004
tors. eta vs tors. theta energy: -24.304
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: 3, replica: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -292.652801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.652801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.652801 (E_RNA)
where:
Base-Base interactions energy: -193.939
where: short stacking energy: -93.639
Base-Backbone interact. energy: -0.507
local terms energy: -98.206346
where:
bonds (distance) C4'-P energy: -23.319
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -23.665
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -14.808
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: 4, replica: 8
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -282.250542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.250542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.250542 (E_RNA)
where:
Base-Base interactions energy: -172.550
where: short stacking energy: -91.853
Base-Backbone interact. energy: -0.128
local terms energy: -109.572054
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -30.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -253.767261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.767261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.767261 (E_RNA)
where:
Base-Base interactions energy: -153.449
where: short stacking energy: -81.032
Base-Backbone interact. energy: -0.041
local terms energy: -100.276547
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -22.443
flat angles P-C4'-P energy: -17.648
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: 6, replica: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -206.640640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.640640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.640640 (E_RNA)
where:
Base-Base interactions energy: -117.423
where: short stacking energy: -67.454
Base-Backbone interact. energy: -0.010
local terms energy: -89.207590
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -134.306650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.306650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.306650 (E_RNA)
where:
Base-Base interactions energy: -62.164
where: short stacking energy: -41.127
Base-Backbone interact. energy: -0.310
local terms energy: -71.833170
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -10.261
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: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -128.588669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.588669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.588669 (E_RNA)
where:
Base-Base interactions energy: -62.953
where: short stacking energy: -50.714
Base-Backbone interact. energy: -0.168
local terms energy: -65.467186
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -10.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -111.254840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.254840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.254840 (E_RNA)
where:
Base-Base interactions energy: -42.825
where: short stacking energy: -40.990
Base-Backbone interact. energy: -0.122
local terms energy: -68.307737
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -16.940
tors. eta vs tors. theta energy: -2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -104.268591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.268591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.268591 (E_RNA)
where:
Base-Base interactions energy: -50.727
where: short stacking energy: -28.916
Base-Backbone interact. energy: -0.057
local terms energy: -53.483995
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -9.741
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)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -316.449745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.449745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.449745 (E_RNA)
where:
Base-Base interactions energy: -207.876
where: short stacking energy: -97.418
Base-Backbone interact. energy: -0.518
local terms energy: -108.055307
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -21.480
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -30.207
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: 10
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -309.384594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.384594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.384594 (E_RNA)
where:
Base-Base interactions energy: -206.511
where: short stacking energy: -82.341
Base-Backbone interact. energy: -1.113
local terms energy: -101.760334
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -23.069
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -23.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -289.157129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.157129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.157129 (E_RNA)
where:
Base-Base interactions energy: -199.534
where: short stacking energy: -92.913
Base-Backbone interact. energy: 1.398
local terms energy: -91.020802
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -21.966
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -23.891
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: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -267.503217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.503217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.503217 (E_RNA)
where:
Base-Base interactions energy: -173.212
where: short stacking energy: -83.464
Base-Backbone interact. energy: -0.758
local terms energy: -93.533709
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -26.116
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: 89
Temperature: 1.100000
Total energy: -235.039551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.039551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.039551 (E_RNA)
where:
Base-Base interactions energy: -141.303
where: short stacking energy: -60.288
Base-Backbone interact. energy: -0.516
local terms energy: -93.220479
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -24.866
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -13.966
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: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -218.209957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.209957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.209957 (E_RNA)
where:
Base-Base interactions energy: -134.503
where: short stacking energy: -58.708
Base-Backbone interact. energy: -0.251
local terms energy: -83.456572
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -122.468904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.468904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.468904 (E_RNA)
where:
Base-Base interactions energy: -54.077
where: short stacking energy: -46.110
Base-Backbone interact. energy: -0.219
local terms energy: -68.173100
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -111.554546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.554546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.554546 (E_RNA)
where:
Base-Base interactions energy: -41.643
where: short stacking energy: -38.643
Base-Backbone interact. energy: -0.143
local terms energy: -69.768507
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -3.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -102.238047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.238047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.238047 (E_RNA)
where:
Base-Base interactions energy: -41.546
where: short stacking energy: -34.713
Base-Backbone interact. energy: -0.398
local terms energy: -60.294026
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -104.156976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.156976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.156976 (E_RNA)
where:
Base-Base interactions energy: -41.711
where: short stacking energy: -39.476
Base-Backbone interact. energy: -0.154
local terms energy: -62.291578
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -6.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -327.727361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.727361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.727361 (E_RNA)
where:
Base-Base interactions energy: -213.512
where: short stacking energy: -104.456
Base-Backbone interact. energy: -0.566
local terms energy: -113.650081
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -29.046
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: 10
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -314.240397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.240397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.240397 (E_RNA)
where:
Base-Base interactions energy: -208.105
where: short stacking energy: -91.343
Base-Backbone interact. energy: -0.180
local terms energy: -105.954914
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -26.894
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: 90
Temperature: 1.000000
Total energy: -243.183087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.183087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.183087 (E_RNA)
where:
Base-Base interactions energy: -153.205
where: short stacking energy: -79.861
Base-Backbone interact. energy: 0.168
local terms energy: -90.145986
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -23.239
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: 90
Temperature: 1.050000
Total energy: -239.539622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.539622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.539622 (E_RNA)
where:
Base-Base interactions energy: -146.399
where: short stacking energy: -76.574
Base-Backbone interact. energy: 0.328
local terms energy: -93.468716
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -20.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -215.336847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.336847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.336847 (E_RNA)
where:
Base-Base interactions energy: -141.391
where: short stacking energy: -66.301
Base-Backbone interact. energy: -1.041
local terms energy: -72.904427
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -11.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -225.944008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.944008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.944008 (E_RNA)
where:
Base-Base interactions energy: -141.077
where: short stacking energy: -74.070
Base-Backbone interact. energy: -0.578
local terms energy: -84.288073
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -13.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -139.691895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.691895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.691895 (E_RNA)
where:
Base-Base interactions energy: -76.028
where: short stacking energy: -46.594
Base-Backbone interact. energy: -0.241
local terms energy: -63.423425
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -115.442947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.442947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.442947 (E_RNA)
where:
Base-Base interactions energy: -47.616
where: short stacking energy: -47.062
Base-Backbone interact. energy: -0.320
local terms energy: -67.507100
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -5.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -119.424973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.424973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.424973 (E_RNA)
where:
Base-Base interactions energy: -50.704
where: short stacking energy: -47.345
Base-Backbone interact. energy: -0.350
local terms energy: -68.371864
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -7.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -101.135831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.135831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.135831 (E_RNA)
where:
Base-Base interactions energy: -36.051
where: short stacking energy: -28.685
Base-Backbone interact. energy: -0.170
local terms energy: -64.915196
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: 0.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -302.631266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.631266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.631266 (E_RNA)
where:
Base-Base interactions energy: -193.051
where: short stacking energy: -95.152
Base-Backbone interact. energy: -0.520
local terms energy: -109.060657
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -15.330
tors. eta vs tors. theta energy: -27.123
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: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -314.119123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.119123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.119123 (E_RNA)
where:
Base-Base interactions energy: -205.287
where: short stacking energy: -92.968
Base-Backbone interact. energy: -0.465
local terms energy: -108.367051
where:
bonds (distance) C4'-P energy: -21.096
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -28.562
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: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -282.806380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.806380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.806380 (E_RNA)
where:
Base-Base interactions energy: -177.686
where: short stacking energy: -88.613
Base-Backbone interact. energy: -0.029
local terms energy: -105.091246
where:
bonds (distance) C4'-P energy: -24.541
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -12.912
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: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -250.659158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.659158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.659158 (E_RNA)
where:
Base-Base interactions energy: -164.329
where: short stacking energy: -78.633
Base-Backbone interact. energy: -0.133
local terms energy: -86.196897
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -23.738
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -241.403779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.403779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.403779 (E_RNA)
where:
Base-Base interactions energy: -141.282
where: short stacking energy: -80.327
Base-Backbone interact. energy: 0.238
local terms energy: -100.360050
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -16.183
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: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -142.978786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.978786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.978786 (E_RNA)
where:
Base-Base interactions energy: -71.739
where: short stacking energy: -54.481
Base-Backbone interact. energy: -0.029
local terms energy: -71.210438
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -5.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -242.816317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.816317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.816317 (E_RNA)
where:
Base-Base interactions energy: -158.936
where: short stacking energy: -77.006
Base-Backbone interact. energy: -0.329
local terms energy: -83.551776
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -17.649
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: 3
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -115.784833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.784833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.784833 (E_RNA)
where:
Base-Base interactions energy: -45.946
where: short stacking energy: -38.467
Base-Backbone interact. energy: -0.040
local terms energy: -69.798061
where:
bonds (distance) C4'-P energy: -20.782
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -102.058608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.058608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.058608 (E_RNA)
where:
Base-Base interactions energy: -41.992
where: short stacking energy: -39.873
Base-Backbone interact. energy: -0.134
local terms energy: -59.932483
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: 1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -112.261557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.261557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.261557 (E_RNA)
where:
Base-Base interactions energy: -42.508
where: short stacking energy: -19.943
Base-Backbone interact. energy: -0.646
local terms energy: -69.107945
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -16.100
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: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -331.741355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.741355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.741355 (E_RNA)
where:
Base-Base interactions energy: -220.943
where: short stacking energy: -95.214
Base-Backbone interact. energy: -0.502
local terms energy: -110.296871
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -30.777
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: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -307.082710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.082710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.082710 (E_RNA)
where:
Base-Base interactions energy: -194.098
where: short stacking energy: -97.533
Base-Backbone interact. energy: -0.901
local terms energy: -112.083058
where:
bonds (distance) C4'-P energy: -23.944
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -28.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -275.689675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.689675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.689675 (E_RNA)
where:
Base-Base interactions energy: -178.021
where: short stacking energy: -88.874
Base-Backbone interact. energy: -0.051
local terms energy: -97.616907
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -23.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -240.011514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.011514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.011514 (E_RNA)
where:
Base-Base interactions energy: -142.506
where: short stacking energy: -72.902
Base-Backbone interact. energy: -0.397
local terms energy: -97.108127
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -23.606
flat angles C4'-P-C4' energy: -23.057
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -20.444
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: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -232.945684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.945684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.945684 (E_RNA)
where:
Base-Base interactions energy: -140.685
where: short stacking energy: -77.017
Base-Backbone interact. energy: -0.235
local terms energy: -92.025445
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -19.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -149.149554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.149554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.149554 (E_RNA)
where:
Base-Base interactions energy: -63.615
where: short stacking energy: -57.267
Base-Backbone interact. energy: -0.054
local terms energy: -85.480240
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -7.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -209.850908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.850908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.850908 (E_RNA)
where:
Base-Base interactions energy: -137.081
where: short stacking energy: -61.930
Base-Backbone interact. energy: -1.415
local terms energy: -71.355130
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -8.085
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -115.734606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.734606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.734606 (E_RNA)
where:
Base-Base interactions energy: -57.652
where: short stacking energy: -46.127
Base-Backbone interact. energy: 3.269
local terms energy: -61.351795
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -110.454599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.454599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.454599 (E_RNA)
where:
Base-Base interactions energy: -33.174
where: short stacking energy: -32.903
Base-Backbone interact. energy: -1.546
local terms energy: -75.735283
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -18.934
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -105.534555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.534555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.534555 (E_RNA)
where:
Base-Base interactions energy: -42.053
where: short stacking energy: -35.208
Base-Backbone interact. energy: 0.949
local terms energy: -64.430799
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -325.552971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.552971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.552971 (E_RNA)
where:
Base-Base interactions energy: -222.862
where: short stacking energy: -99.685
Base-Backbone interact. energy: -1.268
local terms energy: -101.422388
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -20.515
flat angles C4'-P-C4' energy: -23.049
flat angles P-C4'-P energy: -16.353
tors. eta vs tors. theta energy: -28.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -306.118343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.118343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.118343 (E_RNA)
where:
Base-Base interactions energy: -195.451
where: short stacking energy: -95.664
Base-Backbone interact. energy: -0.628
local terms energy: -110.039812
where:
bonds (distance) C4'-P energy: -23.808
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -22.968
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -26.949
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: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -280.501656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.501656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.501656 (E_RNA)
where:
Base-Base interactions energy: -185.432
where: short stacking energy: -94.318
Base-Backbone interact. energy: -0.147
local terms energy: -94.922222
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -25.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -228.897590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.897590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.897590 (E_RNA)
where:
Base-Base interactions energy: -138.807
where: short stacking energy: -80.691
Base-Backbone interact. energy: -0.005
local terms energy: -90.086213
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -242.742239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.742239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.742239 (E_RNA)
where:
Base-Base interactions energy: -165.779
where: short stacking energy: -79.888
Base-Backbone interact. energy: -0.407
local terms energy: -76.555435
where:
bonds (distance) C4'-P energy: -8.933
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -225.858745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.858745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.858745 (E_RNA)
where:
Base-Base interactions energy: -146.055
where: short stacking energy: -77.075
Base-Backbone interact. energy: -1.305
local terms energy: -78.499267
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -118.082948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.082948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.082948 (E_RNA)
where:
Base-Base interactions energy: -48.117
where: short stacking energy: -47.780
Base-Backbone interact. energy: -1.115
local terms energy: -68.851736
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -129.203262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.203262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.203262 (E_RNA)
where:
Base-Base interactions energy: -53.415
where: short stacking energy: -39.036
Base-Backbone interact. energy: -0.139
local terms energy: -75.649219
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -15.970
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: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -113.287119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.287119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.287119 (E_RNA)
where:
Base-Base interactions energy: -36.171
where: short stacking energy: -33.110
Base-Backbone interact. energy: -0.396
local terms energy: -76.720296
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -126.110353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.110353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.110353 (E_RNA)
where:
Base-Base interactions energy: -58.320
where: short stacking energy: -29.150
Base-Backbone interact. energy: 0.864
local terms energy: -68.654674
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -8.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -313.951825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.951825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.951825 (E_RNA)
where:
Base-Base interactions energy: -211.565
where: short stacking energy: -96.145
Base-Backbone interact. energy: -0.245
local terms energy: -102.142653
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -24.824
flat angles P-C4'-P energy: -11.526
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: 94
Temperature: 0.950000
Total energy: -296.921402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.921402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.921402 (E_RNA)
where:
Base-Base interactions energy: -196.559
where: short stacking energy: -90.693
Base-Backbone interact. energy: -1.689
local terms energy: -98.673183
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -26.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -295.960710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.960710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.960710 (E_RNA)
where:
Base-Base interactions energy: -187.938
where: short stacking energy: -107.846
Base-Backbone interact. energy: -0.003
local terms energy: -108.020089
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -34.434
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: 4, replica: 9
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -246.012938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.012938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.012938 (E_RNA)
where:
Base-Base interactions energy: -155.289
where: short stacking energy: -90.182
Base-Backbone interact. energy: -0.010
local terms energy: -90.713716
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -20.642
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -21.579
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: 94
Temperature: 1.100000
Total energy: -235.154006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.154006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.154006 (E_RNA)
where:
Base-Base interactions energy: -145.064
where: short stacking energy: -79.335
Base-Backbone interact. energy: -0.578
local terms energy: -89.511542
where:
bonds (distance) C4'-P energy: -21.469
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -20.728
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: 7
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -219.439363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.439363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.439363 (E_RNA)
where:
Base-Base interactions energy: -136.789
where: short stacking energy: -73.724
Base-Backbone interact. energy: -0.448
local terms energy: -82.203005
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -16.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -172.066683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.066683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.066683 (E_RNA)
where:
Base-Base interactions energy: -85.063
where: short stacking energy: -47.712
Base-Backbone interact. energy: -0.267
local terms energy: -86.737422
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -11.573
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: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -114.992920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.992920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.992920 (E_RNA)
where:
Base-Base interactions energy: -39.897
where: short stacking energy: -35.871
Base-Backbone interact. energy: -0.853
local terms energy: -74.243650
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -7.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -160.537965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.537965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.537965 (E_RNA)
where:
Base-Base interactions energy: -85.885
where: short stacking energy: -51.243
Base-Backbone interact. energy: -0.606
local terms energy: -74.046961
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -99.501315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.501315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.501315 (E_RNA)
where:
Base-Base interactions energy: -43.155
where: short stacking energy: -35.080
Base-Backbone interact. energy: -0.237
local terms energy: -56.108943
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: 5.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -322.193506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.193506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.193506 (E_RNA)
where:
Base-Base interactions energy: -210.679
where: short stacking energy: -105.001
Base-Backbone interact. energy: 0.056
local terms energy: -111.570619
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -23.694
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -30.590
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: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -299.243675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.243675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.243675 (E_RNA)
where:
Base-Base interactions energy: -198.126
where: short stacking energy: -103.434
Base-Backbone interact. energy: -0.028
local terms energy: -101.090360
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -31.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -288.915409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.915409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.915409 (E_RNA)
where:
Base-Base interactions energy: -179.107
where: short stacking energy: -94.523
Base-Backbone interact. energy: -0.381
local terms energy: -109.427224
where:
bonds (distance) C4'-P energy: -22.765
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -21.605
flat angles P-C4'-P energy: -16.419
tors. eta vs tors. theta energy: -24.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -252.260841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.260841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.260841 (E_RNA)
where:
Base-Base interactions energy: -152.684
where: short stacking energy: -77.522
Base-Backbone interact. energy: -0.671
local terms energy: -98.906377
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -22.063
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -228.444992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.444992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.444992 (E_RNA)
where:
Base-Base interactions energy: -150.688
where: short stacking energy: -71.869
Base-Backbone interact. energy: 2.280
local terms energy: -80.036499
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -19.801
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: 95
Temperature: 1.150000
Total energy: -223.879075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.879075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.879075 (E_RNA)
where:
Base-Base interactions energy: -137.194
where: short stacking energy: -65.434
Base-Backbone interact. energy: -2.189
local terms energy: -84.496703
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -21.789
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -166.111753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.111753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.111753 (E_RNA)
where:
Base-Base interactions energy: -89.607
where: short stacking energy: -56.428
Base-Backbone interact. energy: -0.065
local terms energy: -76.439036
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -178.573484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.573484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.573484 (E_RNA)
where:
Base-Base interactions energy: -107.662
where: short stacking energy: -62.079
Base-Backbone interact. energy: 1.288
local terms energy: -72.199955
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -11.682
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: 9, replica: 2
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -119.495309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.495309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.495309 (E_RNA)
where:
Base-Base interactions energy: -44.977
where: short stacking energy: -43.104
Base-Backbone interact. energy: -1.244
local terms energy: -73.274825
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -3.566
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: 10, replica: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -115.721754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.721754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.721754 (E_RNA)
where:
Base-Base interactions energy: -43.148
where: short stacking energy: -35.294
Base-Backbone interact. energy: -0.241
local terms energy: -72.332694
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -320.472356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.472356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.472356 (E_RNA)
where:
Base-Base interactions energy: -208.805
where: short stacking energy: -103.055
Base-Backbone interact. energy: -2.349
local terms energy: -109.318613
where:
bonds (distance) C4'-P energy: -18.105
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -32.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -290.605528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.605528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.605528 (E_RNA)
where:
Base-Base interactions energy: -183.704
where: short stacking energy: -91.436
Base-Backbone interact. energy: -0.302
local terms energy: -106.599281
where:
bonds (distance) C4'-P energy: -22.180
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -24.411
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -27.449
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: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -263.577627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.577627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.577627 (E_RNA)
where:
Base-Base interactions energy: -164.926
where: short stacking energy: -83.129
Base-Backbone interact. energy: -2.970
local terms energy: -95.681014
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -272.906899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.906899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.906899 (E_RNA)
where:
Base-Base interactions energy: -179.135
where: short stacking energy: -90.646
Base-Backbone interact. energy: -1.166
local terms energy: -92.606370
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -12.896
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: 5, replica: 9
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -231.037501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.037501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.037501 (E_RNA)
where:
Base-Base interactions energy: -143.368
where: short stacking energy: -76.282
Base-Backbone interact. energy: -0.203
local terms energy: -87.466235
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -18.624
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: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -230.570077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.570077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.570077 (E_RNA)
where:
Base-Base interactions energy: -143.538
where: short stacking energy: -66.780
Base-Backbone interact. energy: -0.163
local terms energy: -86.869433
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -14.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -178.581704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.581704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.581704 (E_RNA)
where:
Base-Base interactions energy: -113.578
where: short stacking energy: -63.381
Base-Backbone interact. energy: -0.619
local terms energy: -64.384797
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -10.501
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: 96
Temperature: 1.250000
Total energy: -164.000440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.000440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.000440 (E_RNA)
where:
Base-Base interactions energy: -92.740
where: short stacking energy: -57.732
Base-Backbone interact. energy: -0.472
local terms energy: -70.788918
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -20.064
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -8.166
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: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -107.021257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.021257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.021257 (E_RNA)
where:
Base-Base interactions energy: -51.422
where: short stacking energy: -21.911
Base-Backbone interact. energy: -0.771
local terms energy: -54.827881
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -23.113
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: 13.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -109.109163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.109163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.109163 (E_RNA)
where:
Base-Base interactions energy: -39.533
where: short stacking energy: -39.533
Base-Backbone interact. energy: -0.185
local terms energy: -69.391049
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -11.833
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: 1, replica: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -327.770010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.770010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.770010 (E_RNA)
where:
Base-Base interactions energy: -208.768
where: short stacking energy: -109.525
Base-Backbone interact. energy: -0.135
local terms energy: -118.867391
where:
bonds (distance) C4'-P energy: -19.846
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -25.072
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -33.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -304.277428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.277428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.277428 (E_RNA)
where:
Base-Base interactions energy: -196.820
where: short stacking energy: -90.807
Base-Backbone interact. energy: -0.829
local terms energy: -106.628332
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -22.636
flat angles C4'-P-C4' energy: -21.531
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -28.181
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: 97
Temperature: 1.000000
Total energy: -297.043422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.043422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.043422 (E_RNA)
where:
Base-Base interactions energy: -189.337
where: short stacking energy: -92.787
Base-Backbone interact. energy: -0.104
local terms energy: -107.602015
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -31.508
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: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -232.077347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.077347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.077347 (E_RNA)
where:
Base-Base interactions energy: -142.832
where: short stacking energy: -78.379
Base-Backbone interact. energy: -0.031
local terms energy: -89.214556
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -19.967
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -21.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -276.169070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.169070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.169070 (E_RNA)
where:
Base-Base interactions energy: -183.084
where: short stacking energy: -83.956
Base-Backbone interact. energy: -0.933
local terms energy: -92.151635
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -21.731
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -23.747
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: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -238.139399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.139399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.139399 (E_RNA)
where:
Base-Base interactions energy: -146.068
where: short stacking energy: -70.461
Base-Backbone interact. energy: -0.296
local terms energy: -91.775129
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -15.329
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: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -171.731212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.731212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.731212 (E_RNA)
where:
Base-Base interactions energy: -104.126
where: short stacking energy: -61.302
Base-Backbone interact. energy: -0.576
local terms energy: -67.029780
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -8.439
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: 1
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -179.861791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.861791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.861791 (E_RNA)
where:
Base-Base interactions energy: -107.992
where: short stacking energy: -52.372
Base-Backbone interact. energy: 2.430
local terms energy: -74.299616
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -22.417
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -6.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -108.227185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.227185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.227185 (E_RNA)
where:
Base-Base interactions energy: -34.474
where: short stacking energy: -34.014
Base-Backbone interact. energy: 0.581
local terms energy: -74.334378
where:
bonds (distance) C4'-P energy: -19.199
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -10.383
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: 2
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -99.044590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.044590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.044590 (E_RNA)
where:
Base-Base interactions energy: -30.324
where: short stacking energy: -31.310
Base-Backbone interact. energy: 0.222
local terms energy: -68.942267
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -305.198737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.198737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.198737 (E_RNA)
where:
Base-Base interactions energy: -205.745
where: short stacking energy: -89.285
Base-Backbone interact. energy: -1.012
local terms energy: -98.442140
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -12.011
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: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -305.441704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.441704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.441704 (E_RNA)
where:
Base-Base interactions energy: -205.451
where: short stacking energy: -99.058
Base-Backbone interact. energy: -0.296
local terms energy: -99.694041
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -29.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -294.944205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.944205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.944205 (E_RNA)
where:
Base-Base interactions energy: -178.383
where: short stacking energy: -90.629
Base-Backbone interact. energy: -0.069
local terms energy: -116.491864
where:
bonds (distance) C4'-P energy: -23.058
bonds (distance) P-C4' energy: -25.791
flat angles C4'-P-C4' energy: -23.157
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -29.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -242.299427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.299427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.299427 (E_RNA)
where:
Base-Base interactions energy: -148.452
where: short stacking energy: -76.927
Base-Backbone interact. energy: -0.092
local terms energy: -93.755483
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -258.422657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.422657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.422657 (E_RNA)
where:
Base-Base interactions energy: -168.170
where: short stacking energy: -75.255
Base-Backbone interact. energy: -0.460
local terms energy: -89.792709
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -23.044
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: 98
Temperature: 1.150000
Total energy: -232.274028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.274028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.274028 (E_RNA)
where:
Base-Base interactions energy: -141.308
where: short stacking energy: -76.500
Base-Backbone interact. energy: -0.013
local terms energy: -90.952638
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -21.938
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -170.980718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.980718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.980718 (E_RNA)
where:
Base-Base interactions energy: -89.886
where: short stacking energy: -52.004
Base-Backbone interact. energy: -0.554
local terms energy: -80.540915
where:
bonds (distance) C4'-P energy: -22.007
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -8.244
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: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -125.592764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.592764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.592764 (E_RNA)
where:
Base-Base interactions energy: -61.812
where: short stacking energy: -41.895
Base-Backbone interact. energy: 0.802
local terms energy: -64.583354
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -107.248616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.248616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.248616 (E_RNA)
where:
Base-Base interactions energy: -31.436
where: short stacking energy: -29.684
Base-Backbone interact. energy: -0.125
local terms energy: -75.687528
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -90.315779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.315779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.315779 (E_RNA)
where:
Base-Base interactions energy: -38.145
where: short stacking energy: -38.145
Base-Backbone interact. energy: -0.058
local terms energy: -52.113109
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -3.662
tors. eta vs tors. theta energy: -1.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -302.103488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.103488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.103488 (E_RNA)
where:
Base-Base interactions energy: -210.772
where: short stacking energy: -90.929
Base-Backbone interact. energy: -0.741
local terms energy: -90.590879
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -23.540
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: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -294.666731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.666731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.666731 (E_RNA)
where:
Base-Base interactions energy: -188.040
where: short stacking energy: -104.002
Base-Backbone interact. energy: -0.003
local terms energy: -106.623358
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -20.776
flat angles C4'-P-C4' energy: -21.953
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -30.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -297.445900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.445900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.445900 (E_RNA)
where:
Base-Base interactions energy: -196.050
where: short stacking energy: -85.381
Base-Backbone interact. energy: -0.472
local terms energy: -100.923852
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -24.625
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -15.774
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: 4, replica: 9
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -245.331022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.331022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.331022 (E_RNA)
where:
Base-Base interactions energy: -159.444
where: short stacking energy: -68.116
Base-Backbone interact. energy: -0.242
local terms energy: -85.644844
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -221.882492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.882492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.882492 (E_RNA)
where:
Base-Base interactions energy: -135.616
where: short stacking energy: -76.028
Base-Backbone interact. energy: -0.245
local terms energy: -86.021897
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -18.426
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: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -222.370979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.370979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.370979 (E_RNA)
where:
Base-Base interactions energy: -130.024
where: short stacking energy: -64.892
Base-Backbone interact. energy: -0.446
local terms energy: -91.901261
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -173.445596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.445596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.445596 (E_RNA)
where:
Base-Base interactions energy: -101.452
where: short stacking energy: -60.377
Base-Backbone interact. energy: -2.172
local terms energy: -69.820962
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -14.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -114.569371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.569371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.569371 (E_RNA)
where:
Base-Base interactions energy: -48.809
where: short stacking energy: -38.967
Base-Backbone interact. energy: -0.120
local terms energy: -65.640515
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -110.446682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.446682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.446682 (E_RNA)
where:
Base-Base interactions energy: -32.787
where: short stacking energy: -31.745
Base-Backbone interact. energy: 0.106
local terms energy: -77.765006
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -103.201719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.201719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.201719 (E_RNA)
where:
Base-Base interactions energy: -44.872
where: short stacking energy: -40.121
Base-Backbone interact. energy: -1.377
local terms energy: -56.952574
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -12.450
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)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -312.658762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.658762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.658762 (E_RNA)
where:
Base-Base interactions energy: -201.637
where: short stacking energy: -99.485
Base-Backbone interact. energy: -0.007
local terms energy: -111.014910
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -33.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -289.301232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.301232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.301232 (E_RNA)
where:
Base-Base interactions energy: -196.466
where: short stacking energy: -88.851
Base-Backbone interact. energy: -0.630
local terms energy: -92.204637
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -306.086183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.086183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.086183 (E_RNA)
where:
Base-Base interactions energy: -198.905
where: short stacking energy: -99.466
Base-Backbone interact. energy: -0.722
local terms energy: -106.458999
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -18.119
tors. eta vs tors. theta energy: -27.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -228.905524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.905524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.905524 (E_RNA)
where:
Base-Base interactions energy: -139.733
where: short stacking energy: -78.357
Base-Backbone interact. energy: -2.254
local terms energy: -86.918084
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -19.688
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -19.855
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: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -203.540687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.540687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.540687 (E_RNA)
where:
Base-Base interactions energy: -125.947
where: short stacking energy: -63.881
Base-Backbone interact. energy: -0.507
local terms energy: -77.086832
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -201.560133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.560133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.560133 (E_RNA)
where:
Base-Base interactions energy: -131.229
where: short stacking energy: -60.348
Base-Backbone interact. energy: -0.452
local terms energy: -69.879478
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -12.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -197.028206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.028206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.028206 (E_RNA)
where:
Base-Base interactions energy: -109.216
where: short stacking energy: -78.902
Base-Backbone interact. energy: 0.638
local terms energy: -88.450525
where:
bonds (distance) C4'-P energy: -20.601
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -16.800
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: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -116.314093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.314093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.314093 (E_RNA)
where:
Base-Base interactions energy: -58.518
where: short stacking energy: -39.663
Base-Backbone interact. energy: -0.249
local terms energy: -57.546258
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -1.570
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: 3
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -118.944627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.944627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.944627 (E_RNA)
where:
Base-Base interactions energy: -44.560
where: short stacking energy: -44.221
Base-Backbone interact. energy: 0.187
local terms energy: -74.571653
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -102.388899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.388899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.388899 (E_RNA)
where:
Base-Base interactions energy: -45.625
where: short stacking energy: -35.967
Base-Backbone interact. energy: -0.265
local terms energy: -56.498300
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: 1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -306.964161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.964161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.964161 (E_RNA)
where:
Base-Base interactions energy: -199.879
where: short stacking energy: -99.745
Base-Backbone interact. energy: -0.670
local terms energy: -106.414380
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -32.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -309.742982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.742982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.742982 (E_RNA)
where:
Base-Base interactions energy: -199.147
where: short stacking energy: -87.934
Base-Backbone interact. energy: -0.691
local terms energy: -109.905162
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -25.241
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -26.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -289.147321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.147321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.147321 (E_RNA)
where:
Base-Base interactions energy: -192.175
where: short stacking energy: -76.284
Base-Backbone interact. energy: -0.441
local terms energy: -96.531099
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -23.218
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -21.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -255.274216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.274216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.274216 (E_RNA)
where:
Base-Base interactions energy: -167.457
where: short stacking energy: -90.469
Base-Backbone interact. energy: -0.236
local terms energy: -87.581150
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -21.929
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: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -212.158912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.158912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.158912 (E_RNA)
where:
Base-Base interactions energy: -121.700
where: short stacking energy: -60.232
Base-Backbone interact. energy: -1.120
local terms energy: -89.339771
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -17.282
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -191.206897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.206897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.206897 (E_RNA)
where:
Base-Base interactions energy: -109.952
where: short stacking energy: -61.645
Base-Backbone interact. energy: 0.057
local terms energy: -81.311903
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -15.628
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)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -216.805634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.805634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.805634 (E_RNA)
where:
Base-Base interactions energy: -136.283
where: short stacking energy: -57.787
Base-Backbone interact. energy: -0.446
local terms energy: -80.076239
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -109.645061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.645061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.645061 (E_RNA)
where:
Base-Base interactions energy: -40.911
where: short stacking energy: -35.717
Base-Backbone interact. energy: -0.652
local terms energy: -68.081674
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -107.538523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.538523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.538523 (E_RNA)
where:
Base-Base interactions energy: -44.500
where: short stacking energy: -44.500
Base-Backbone interact. energy: -0.033
local terms energy: -63.005592
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -98.326522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.326522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.326522 (E_RNA)
where:
Base-Base interactions energy: -35.341
where: short stacking energy: -30.280
Base-Backbone interact. energy: -1.544
local terms energy: -61.442228
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -12.365
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: 1, replica: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -309.336192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.336192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.336192 (E_RNA)
where:
Base-Base interactions energy: -196.045
where: short stacking energy: -98.195
Base-Backbone interact. energy: 0.949
local terms energy: -114.239904
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -21.401
tors. eta vs tors. theta energy: -29.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -291.617249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.617249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.617249 (E_RNA)
where:
Base-Base interactions energy: -189.086
where: short stacking energy: -82.250
Base-Backbone interact. energy: -1.059
local terms energy: -101.472136
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -21.803
flat angles P-C4'-P energy: -20.441
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -293.682489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.682489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.682489 (E_RNA)
where:
Base-Base interactions energy: -197.833
where: short stacking energy: -89.207
Base-Backbone interact. energy: -0.187
local terms energy: -95.662154
where:
bonds (distance) C4'-P energy: -23.646
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -26.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -259.299302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.299302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.299302 (E_RNA)
where:
Base-Base interactions energy: -164.031
where: short stacking energy: -82.220
Base-Backbone interact. energy: -1.107
local terms energy: -94.160883
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -20.036
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: 5, replica: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -207.432870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.432870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.432870 (E_RNA)
where:
Base-Base interactions energy: -115.979
where: short stacking energy: -66.896
Base-Backbone interact. energy: -0.028
local terms energy: -91.425888
where:
bonds (distance) C4'-P energy: -21.431
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -19.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -222.156966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.156966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.156966 (E_RNA)
where:
Base-Base interactions energy: -148.850
where: short stacking energy: -73.148
Base-Backbone interact. energy: -1.430
local terms energy: -71.877112
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -215.071997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.071997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.071997 (E_RNA)
where:
Base-Base interactions energy: -136.580
where: short stacking energy: -67.433
Base-Backbone interact. energy: 1.129
local terms energy: -79.621291
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -113.357742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.357742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.357742 (E_RNA)
where:
Base-Base interactions energy: -52.225
where: short stacking energy: -34.874
Base-Backbone interact. energy: -0.670
local terms energy: -60.463356
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -21.005
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -2.827
tors. eta vs tors. theta energy: -1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -105.151454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.151454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.151454 (E_RNA)
where:
Base-Base interactions energy: -38.028
where: short stacking energy: -25.840
Base-Backbone interact. energy: -0.290
local terms energy: -66.832712
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -102.298028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.298028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.298028 (E_RNA)
where:
Base-Base interactions energy: -44.806
where: short stacking energy: -33.436
Base-Backbone interact. energy: -0.411
local terms energy: -57.080734
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -7.623
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: 1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -303.907091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.907091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.907091 (E_RNA)
where:
Base-Base interactions energy: -187.308
where: short stacking energy: -96.848
Base-Backbone interact. energy: -0.179
local terms energy: -116.420146
where:
bonds (distance) C4'-P energy: -22.706
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -24.368
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -32.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -298.037838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.037838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.037838 (E_RNA)
where:
Base-Base interactions energy: -197.463
where: short stacking energy: -97.568
Base-Backbone interact. energy: -0.815
local terms energy: -99.759578
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -24.801
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -26.386
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: 4
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -272.571666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.571666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.571666 (E_RNA)
where:
Base-Base interactions energy: -183.872
where: short stacking energy: -76.455
Base-Backbone interact. energy: -0.098
local terms energy: -88.601623
where:
bonds (distance) C4'-P energy: -21.342
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -10.313
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: 9
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -252.804286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.804286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.804286 (E_RNA)
where:
Base-Base interactions energy: -158.356
where: short stacking energy: -88.902
Base-Backbone interact. energy: -0.025
local terms energy: -94.423154
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -16.407
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: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -184.534960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.534960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.534960 (E_RNA)
where:
Base-Base interactions energy: -101.130
where: short stacking energy: -60.722
Base-Backbone interact. energy: -0.182
local terms energy: -83.223274
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -228.114125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.114125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.114125 (E_RNA)
where:
Base-Base interactions energy: -144.579
where: short stacking energy: -68.517
Base-Backbone interact. energy: 0.596
local terms energy: -84.130883
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -20.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -192.487945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.487945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.487945 (E_RNA)
where:
Base-Base interactions energy: -113.035
where: short stacking energy: -47.032
Base-Backbone interact. energy: -2.035
local terms energy: -77.418569
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -10.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -123.293246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.293246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.293246 (E_RNA)
where:
Base-Base interactions energy: -66.137
where: short stacking energy: -37.082
Base-Backbone interact. energy: -0.803
local terms energy: -56.353815
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -7.679
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: 9, replica: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -113.897464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.897464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.897464 (E_RNA)
where:
Base-Base interactions energy: -59.963
where: short stacking energy: -33.865
Base-Backbone interact. energy: 0.280
local terms energy: -54.214685
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -97.248754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.248754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.248754 (E_RNA)
where:
Base-Base interactions energy: -29.321
where: short stacking energy: -19.516
Base-Backbone interact. energy: -0.325
local terms energy: -67.603073
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -300.665902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.665902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.665902 (E_RNA)
where:
Base-Base interactions energy: -187.688
where: short stacking energy: -89.741
Base-Backbone interact. energy: -0.014
local terms energy: -112.964337
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -31.388
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: 2, replica: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -317.259567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.259567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.259567 (E_RNA)
where:
Base-Base interactions energy: -214.332
where: short stacking energy: -90.341
Base-Backbone interact. energy: -0.146
local terms energy: -102.782275
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -25.019
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -26.953
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: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -278.376065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.376065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.376065 (E_RNA)
where:
Base-Base interactions energy: -179.977
where: short stacking energy: -71.691
Base-Backbone interact. energy: 0.022
local terms energy: -98.421046
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -24.232
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -18.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -230.180484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.180484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.180484 (E_RNA)
where:
Base-Base interactions energy: -137.166
where: short stacking energy: -78.178
Base-Backbone interact. energy: -0.048
local terms energy: -92.966774
where:
bonds (distance) C4'-P energy: -23.960
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -228.218372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.218372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.218372 (E_RNA)
where:
Base-Base interactions energy: -143.335
where: short stacking energy: -63.751
Base-Backbone interact. energy: -0.794
local terms energy: -84.088896
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -176.349404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.349404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.349404 (E_RNA)
where:
Base-Base interactions energy: -93.680
where: short stacking energy: -50.043
Base-Backbone interact. energy: -2.293
local terms energy: -80.376933
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -136.603756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.603756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.603756 (E_RNA)
where:
Base-Base interactions energy: -63.822
where: short stacking energy: -56.537
Base-Backbone interact. energy: -0.048
local terms energy: -72.733719
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -8.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -172.577297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.577297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.577297 (E_RNA)
where:
Base-Base interactions energy: -94.255
where: short stacking energy: -47.482
Base-Backbone interact. energy: 0.460
local terms energy: -78.781937
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -11.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -105.389087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.389087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.389087 (E_RNA)
where:
Base-Base interactions energy: -38.409
where: short stacking energy: -31.470
Base-Backbone interact. energy: -0.269
local terms energy: -66.710195
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -112.441223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.441223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.441223 (E_RNA)
where:
Base-Base interactions energy: -51.518
where: short stacking energy: -37.925
Base-Backbone interact. energy: -0.347
local terms energy: -60.576330
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -8.326
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: 0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -310.836324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.836324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.836324 (E_RNA)
where:
Base-Base interactions energy: -192.913
where: short stacking energy: -102.703
Base-Backbone interact. energy: -0.400
local terms energy: -117.523779
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -20.149
flat angles C4'-P-C4' energy: -24.296
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -32.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -286.635565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.635565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.635565 (E_RNA)
where:
Base-Base interactions energy: -194.777
where: short stacking energy: -90.484
Base-Backbone interact. energy: -0.274
local terms energy: -91.585399
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -306.474838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.474838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.474838 (E_RNA)
where:
Base-Base interactions energy: -207.236
where: short stacking energy: -84.449
Base-Backbone interact. energy: -1.210
local terms energy: -98.028790
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: -24.526
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: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -235.074962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.074962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.074962 (E_RNA)
where:
Base-Base interactions energy: -142.615
where: short stacking energy: -71.326
Base-Backbone interact. energy: -0.196
local terms energy: -92.264006
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -21.853
flat angles P-C4'-P energy: -7.701
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: 5, replica: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -221.733327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.733327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.733327 (E_RNA)
where:
Base-Base interactions energy: -139.888
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.333
local terms energy: -81.512400
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -175.784088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.784088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.784088 (E_RNA)
where:
Base-Base interactions energy: -97.223
where: short stacking energy: -51.195
Base-Backbone interact. energy: -0.291
local terms energy: -78.269591
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -9.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -117.611361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.611361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.611361 (E_RNA)
where:
Base-Base interactions energy: -45.029
where: short stacking energy: -37.240
Base-Backbone interact. energy: -0.640
local terms energy: -71.942557
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -6.084
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: 8, replica: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -173.244488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.244488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.244488 (E_RNA)
where:
Base-Base interactions energy: -93.461
where: short stacking energy: -53.213
Base-Backbone interact. energy: -0.340
local terms energy: -79.443275
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -120.215072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.215072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.215072 (E_RNA)
where:
Base-Base interactions energy: -59.241
where: short stacking energy: -37.662
Base-Backbone interact. energy: -0.099
local terms energy: -60.875045
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: -9.799
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -99.518692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.518692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.518692 (E_RNA)
where:
Base-Base interactions energy: -41.294
where: short stacking energy: -37.883
Base-Backbone interact. energy: 0.488
local terms energy: -58.712760
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: 0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -298.557145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.557145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.557145 (E_RNA)
where:
Base-Base interactions energy: -204.638
where: short stacking energy: -92.152
Base-Backbone interact. energy: -1.399
local terms energy: -92.520200
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -291.973287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.973287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.973287 (E_RNA)
where:
Base-Base interactions energy: -182.489
where: short stacking energy: -91.151
Base-Backbone interact. energy: 0.058
local terms energy: -109.542595
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -22.799
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -30.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -307.083562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.083562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.083562 (E_RNA)
where:
Base-Base interactions energy: -207.641
where: short stacking energy: -93.675
Base-Backbone interact. energy: -0.105
local terms energy: -99.337431
where:
bonds (distance) C4'-P energy: -16.736
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -21.051
flat angles P-C4'-P energy: -13.435
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: 4, replica: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -232.850646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.850646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.850646 (E_RNA)
where:
Base-Base interactions energy: -143.696
where: short stacking energy: -67.953
Base-Backbone interact. energy: -0.726
local terms energy: -88.428035
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -21.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -205.574096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.574096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.574096 (E_RNA)
where:
Base-Base interactions energy: -121.962
where: short stacking energy: -67.858
Base-Backbone interact. energy: 0.907
local terms energy: -84.519667
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -21.990
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -247.736973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.736973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.736973 (E_RNA)
where:
Base-Base interactions energy: -159.453
where: short stacking energy: -84.948
Base-Backbone interact. energy: -0.575
local terms energy: -87.709280
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -23.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -174.725524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.725524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.725524 (E_RNA)
where:
Base-Base interactions energy: -84.844
where: short stacking energy: -53.177
Base-Backbone interact. energy: -0.573
local terms energy: -89.309062
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -13.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -135.156853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.156853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.156853 (E_RNA)
where:
Base-Base interactions energy: -68.113
where: short stacking energy: -46.441
Base-Backbone interact. energy: -0.260
local terms energy: -66.783859
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -8.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -110.151271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.151271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.151271 (E_RNA)
where:
Base-Base interactions energy: -42.620
where: short stacking energy: -34.346
Base-Backbone interact. energy: 0.493
local terms energy: -68.024647
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -17.353
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: 10, replica: 2
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -97.623376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.623376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.623376 (E_RNA)
where:
Base-Base interactions energy: -39.615
where: short stacking energy: -29.355
Base-Backbone interact. energy: -0.397
local terms energy: -57.611449
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -20.975
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: 3.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -303.964292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.964292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.964292 (E_RNA)
where:
Base-Base interactions energy: -196.966
where: short stacking energy: -89.658
Base-Backbone interact. energy: 0.004
local terms energy: -107.002523
where:
bonds (distance) C4'-P energy: -24.698
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -23.325
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: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -299.415693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.415693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.415693 (E_RNA)
where:
Base-Base interactions energy: -203.482
where: short stacking energy: -80.880
Base-Backbone interact. energy: -0.309
local terms energy: -95.624564
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -22.699
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -22.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -266.398874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.398874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.398874 (E_RNA)
where:
Base-Base interactions energy: -178.540
where: short stacking energy: -84.519
Base-Backbone interact. energy: -0.237
local terms energy: -87.621388
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -19.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -243.861419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.861419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.861419 (E_RNA)
where:
Base-Base interactions energy: -147.195
where: short stacking energy: -73.159
Base-Backbone interact. energy: -0.082
local terms energy: -96.584461
where:
bonds (distance) C4'-P energy: -19.617
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -15.874
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: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -234.163440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.163440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.163440 (E_RNA)
where:
Base-Base interactions energy: -150.409
where: short stacking energy: -57.859
Base-Backbone interact. energy: -0.607
local terms energy: -83.147133
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -23.438
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -13.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -236.738464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.738464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.738464 (E_RNA)
where:
Base-Base interactions energy: -141.634
where: short stacking energy: -74.321
Base-Backbone interact. energy: -0.645
local terms energy: -94.459501
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -20.964
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -16.460
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: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -164.434381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.434381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.434381 (E_RNA)
where:
Base-Base interactions energy: -94.383
where: short stacking energy: -63.666
Base-Backbone interact. energy: -0.149
local terms energy: -69.902574
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -14.034
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: 8, replica: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -122.639960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.639960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.639960 (E_RNA)
where:
Base-Base interactions energy: -39.116
where: short stacking energy: -37.823
Base-Backbone interact. energy: -0.251
local terms energy: -83.272283
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -22.304
flat angles P-C4'-P energy: -13.414
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: 9, replica: 3
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -137.790996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.790996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.790996 (E_RNA)
where:
Base-Base interactions energy: -68.666
where: short stacking energy: -44.859
Base-Backbone interact. energy: 0.224
local terms energy: -69.349304
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -97.770923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.770923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.770923 (E_RNA)
where:
Base-Base interactions energy: -33.859
where: short stacking energy: -33.859
Base-Backbone interact. energy: -0.404
local terms energy: -63.507970
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -318.241541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.241541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.241541 (E_RNA)
where:
Base-Base interactions energy: -210.655
where: short stacking energy: -91.157
Base-Backbone interact. energy: 1.246
local terms energy: -108.833243
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -24.843
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -27.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -299.028695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.028695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.028695 (E_RNA)
where:
Base-Base interactions energy: -196.783
where: short stacking energy: -93.557
Base-Backbone interact. energy: -0.175
local terms energy: -102.070007
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -25.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -244.781111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.781111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.781111 (E_RNA)
where:
Base-Base interactions energy: -151.326
where: short stacking energy: -75.468
Base-Backbone interact. energy: -0.167
local terms energy: -93.288620
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -23.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -237.466460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.466460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.466460 (E_RNA)
where:
Base-Base interactions energy: -147.727
where: short stacking energy: -76.551
Base-Backbone interact. energy: -0.737
local terms energy: -89.002441
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -18.491
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: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -229.892019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.892019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.892019 (E_RNA)
where:
Base-Base interactions energy: -156.010
where: short stacking energy: -71.800
Base-Backbone interact. energy: -1.128
local terms energy: -72.753469
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -11.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -220.300543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.300543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.300543 (E_RNA)
where:
Base-Base interactions energy: -146.708
where: short stacking energy: -64.455
Base-Backbone interact. energy: 0.094
local terms energy: -73.685861
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -8.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -182.574396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.574396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.574396 (E_RNA)
where:
Base-Base interactions energy: -97.329
where: short stacking energy: -67.842
Base-Backbone interact. energy: -0.200
local terms energy: -85.045672
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -20.711
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -11.908
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: 108
Temperature: 1.250000
Total energy: -117.342001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.342001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.342001 (E_RNA)
where:
Base-Base interactions energy: -46.394
where: short stacking energy: -34.139
Base-Backbone interact. energy: -0.590
local terms energy: -70.357589
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: 2.946
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: 2
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -111.040250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.040250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.040250 (E_RNA)
where:
Base-Base interactions energy: -39.155
where: short stacking energy: -32.364
Base-Backbone interact. energy: -0.719
local terms energy: -71.166246
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -17.533
tors. eta vs tors. theta energy: 3.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -103.285400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.285400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.285400 (E_RNA)
where:
Base-Base interactions energy: -30.538
where: short stacking energy: -28.503
Base-Backbone interact. energy: 0.118
local terms energy: -72.864828
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -4.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -318.819325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.819325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.819325 (E_RNA)
where:
Base-Base interactions energy: -210.595
where: short stacking energy: -96.428
Base-Backbone interact. energy: -0.154
local terms energy: -108.070407
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -29.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -294.025804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.025804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.025804 (E_RNA)
where:
Base-Base interactions energy: -198.108
where: short stacking energy: -78.885
Base-Backbone interact. energy: -0.444
local terms energy: -95.473172
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -18.026
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: 3, replica: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -240.826197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.826197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.826197 (E_RNA)
where:
Base-Base interactions energy: -148.627
where: short stacking energy: -83.684
Base-Backbone interact. energy: -0.544
local terms energy: -91.655210
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -15.682
tors. eta vs tors. theta energy: -19.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -253.084780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.084780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.084780 (E_RNA)
where:
Base-Base interactions energy: -155.966
where: short stacking energy: -92.051
Base-Backbone interact. energy: -1.358
local terms energy: -95.760911
where:
bonds (distance) C4'-P energy: -19.605
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -28.018
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: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -199.320372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.320372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.320372 (E_RNA)
where:
Base-Base interactions energy: -115.005
where: short stacking energy: -60.841
Base-Backbone interact. energy: -0.346
local terms energy: -83.969296
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -234.239573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.239573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.239573 (E_RNA)
where:
Base-Base interactions energy: -148.141
where: short stacking energy: -71.800
Base-Backbone interact. energy: -0.660
local terms energy: -85.439108
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -21.568
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -185.532609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.532609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.532609 (E_RNA)
where:
Base-Base interactions energy: -108.859
where: short stacking energy: -56.990
Base-Backbone interact. energy: -0.673
local terms energy: -76.000419
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -118.853769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.853769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.853769 (E_RNA)
where:
Base-Base interactions energy: -54.466
where: short stacking energy: -49.742
Base-Backbone interact. energy: -0.301
local terms energy: -64.087164
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -13.944
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: 9, replica: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -111.383421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.383421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.383421 (E_RNA)
where:
Base-Base interactions energy: -42.650
where: short stacking energy: -35.405
Base-Backbone interact. energy: -1.201
local terms energy: -67.532464
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -4.318
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: 3
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -107.834920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.834920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.834920 (E_RNA)
where:
Base-Base interactions energy: -39.994
where: short stacking energy: -34.843
Base-Backbone interact. energy: -0.058
local terms energy: -67.782536
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -310.432064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.432064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.432064 (E_RNA)
where:
Base-Base interactions energy: -208.997
where: short stacking energy: -89.210
Base-Backbone interact. energy: 0.260
local terms energy: -101.695158
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -15.104
tors. eta vs tors. theta energy: -24.291
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: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -306.697967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.697967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.697967 (E_RNA)
where:
Base-Base interactions energy: -197.393
where: short stacking energy: -91.515
Base-Backbone interact. energy: -0.369
local terms energy: -108.936242
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -27.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -255.443340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.443340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.443340 (E_RNA)
where:
Base-Base interactions energy: -160.649
where: short stacking energy: -81.424
Base-Backbone interact. energy: -0.005
local terms energy: -94.789653
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -10.791
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: 4, replica: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -246.676245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.676245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.676245 (E_RNA)
where:
Base-Base interactions energy: -157.159
where: short stacking energy: -72.342
Base-Backbone interact. energy: 0.001
local terms energy: -89.518738
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -14.959
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: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -245.340436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.340436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.340436 (E_RNA)
where:
Base-Base interactions energy: -152.170
where: short stacking energy: -78.038
Base-Backbone interact. energy: -0.461
local terms energy: -92.709235
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -24.167
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -10.567
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: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -181.618681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.618681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.618681 (E_RNA)
where:
Base-Base interactions energy: -92.541
where: short stacking energy: -46.440
Base-Backbone interact. energy: -1.136
local terms energy: -87.942197
where:
bonds (distance) C4'-P energy: -20.997
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -194.551954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.551954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.551954 (E_RNA)
where:
Base-Base interactions energy: -112.176
where: short stacking energy: -68.748
Base-Backbone interact. energy: 0.346
local terms energy: -82.722003
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -114.377098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.377098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.377098 (E_RNA)
where:
Base-Base interactions energy: -47.413
where: short stacking energy: -32.695
Base-Backbone interact. energy: 3.043
local terms energy: -70.007180
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: 0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -116.974723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.974723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.974723 (E_RNA)
where:
Base-Base interactions energy: -58.036
where: short stacking energy: -35.193
Base-Backbone interact. energy: 2.957
local terms energy: -61.896160
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -96.294428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.294428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.294428 (E_RNA)
where:
Base-Base interactions energy: -33.451
where: short stacking energy: -25.378
Base-Backbone interact. energy: -0.214
local terms energy: -62.629504
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -303.339898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.339898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.339898 (E_RNA)
where:
Base-Base interactions energy: -201.411
where: short stacking energy: -91.037
Base-Backbone interact. energy: -0.695
local terms energy: -101.233968
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -21.358
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: 10
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -310.563845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.563845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.563845 (E_RNA)
where:
Base-Base interactions energy: -197.782
where: short stacking energy: -85.640
Base-Backbone interact. energy: -0.741
local terms energy: -112.040644
where:
bonds (distance) C4'-P energy: -22.749
bonds (distance) P-C4' energy: -22.912
flat angles C4'-P-C4' energy: -24.242
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -27.793
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: 8
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -276.477421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.477421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.477421 (E_RNA)
where:
Base-Base interactions energy: -161.470
where: short stacking energy: -91.768
Base-Backbone interact. energy: -0.136
local terms energy: -114.871201
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -25.712
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -28.647
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: 111
Temperature: 1.050000
Total energy: -230.823768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.823768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.823768 (E_RNA)
where:
Base-Base interactions energy: -142.318
where: short stacking energy: -73.972
Base-Backbone interact. energy: -0.289
local terms energy: -88.216740
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -13.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -244.433495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.433495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.433495 (E_RNA)
where:
Base-Base interactions energy: -144.305
where: short stacking energy: -72.608
Base-Backbone interact. energy: -0.282
local terms energy: -99.847116
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -17.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -184.995029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.995029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.995029 (E_RNA)
where:
Base-Base interactions energy: -101.888
where: short stacking energy: -58.624
Base-Backbone interact. energy: -0.325
local terms energy: -82.781850
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -174.216792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.216792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.216792 (E_RNA)
where:
Base-Base interactions energy: -103.115
where: short stacking energy: -60.770
Base-Backbone interact. energy: -0.260
local terms energy: -70.842436
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -13.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -119.985052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.985052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.985052 (E_RNA)
where:
Base-Base interactions energy: -52.344
where: short stacking energy: -39.024
Base-Backbone interact. energy: -0.316
local terms energy: -67.324980
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -117.777132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.777132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.777132 (E_RNA)
where:
Base-Base interactions energy: -46.748
where: short stacking energy: -28.261
Base-Backbone interact. energy: -0.211
local terms energy: -70.818253
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -21.009
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: 0.012
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: 1
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -91.652543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.652543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.652543 (E_RNA)
where:
Base-Base interactions energy: -40.414
where: short stacking energy: -37.377
Base-Backbone interact. energy: 2.799
local terms energy: -54.037688
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: 0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -306.341461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.341461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.341461 (E_RNA)
where:
Base-Base interactions energy: -200.244
where: short stacking energy: -91.164
Base-Backbone interact. energy: -0.163
local terms energy: -105.934305
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -23.558
flat angles P-C4'-P energy: -16.462
tors. eta vs tors. theta energy: -27.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -293.040048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.040048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.040048 (E_RNA)
where:
Base-Base interactions energy: -197.989
where: short stacking energy: -82.783
Base-Backbone interact. energy: -0.315
local terms energy: -94.736273
where:
bonds (distance) C4'-P energy: -22.719
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -20.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -274.239340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.239340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.239340 (E_RNA)
where:
Base-Base interactions energy: -179.177
where: short stacking energy: -95.913
Base-Backbone interact. energy: -0.019
local terms energy: -95.042970
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -26.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -281.366821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.366821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.366821 (E_RNA)
where:
Base-Base interactions energy: -182.558
where: short stacking energy: -69.473
Base-Backbone interact. energy: 1.190
local terms energy: -99.998910
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -22.382
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: -20.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -188.777148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.777148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.777148 (E_RNA)
where:
Base-Base interactions energy: -103.647
where: short stacking energy: -62.588
Base-Backbone interact. energy: -0.931
local terms energy: -84.199321
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -229.275247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.275247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.275247 (E_RNA)
where:
Base-Base interactions energy: -151.404
where: short stacking energy: -66.731
Base-Backbone interact. energy: 0.232
local terms energy: -78.103538
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -22.026
flat angles P-C4'-P energy: -11.865
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: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -143.426235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.426235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.426235 (E_RNA)
where:
Base-Base interactions energy: -79.781
where: short stacking energy: -52.085
Base-Backbone interact. energy: -1.580
local terms energy: -62.064664
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -3.687
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: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -111.065451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.065451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.065451 (E_RNA)
where:
Base-Base interactions energy: -36.833
where: short stacking energy: -36.757
Base-Backbone interact. energy: 0.305
local terms energy: -74.537564
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -100.501160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.501160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.501160 (E_RNA)
where:
Base-Base interactions energy: -30.939
where: short stacking energy: -24.005
Base-Backbone interact. energy: -1.400
local terms energy: -68.161291
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -23.541
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: 1.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -100.853002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.853002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.853002 (E_RNA)
where:
Base-Base interactions energy: -36.327
where: short stacking energy: -31.241
Base-Backbone interact. energy: -0.550
local terms energy: -63.975959
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -1.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -310.490324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.490324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.490324 (E_RNA)
where:
Base-Base interactions energy: -207.916
where: short stacking energy: -88.911
Base-Backbone interact. energy: 1.774
local terms energy: -104.348133
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -23.657
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -24.830
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: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -286.075123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.075123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.075123 (E_RNA)
where:
Base-Base interactions energy: -181.484
where: short stacking energy: -95.420
Base-Backbone interact. energy: -0.143
local terms energy: -104.447619
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -22.294
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -29.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -276.529116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.529116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.529116 (E_RNA)
where:
Base-Base interactions energy: -178.594
where: short stacking energy: -90.412
Base-Backbone interact. energy: -0.113
local terms energy: -97.821781
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -22.726
flat angles C4'-P-C4' energy: -23.977
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -24.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -272.162962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.162962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.162962 (E_RNA)
where:
Base-Base interactions energy: -182.816
where: short stacking energy: -79.147
Base-Backbone interact. energy: -0.872
local terms energy: -88.475173
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -21.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -218.651202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.651202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.651202 (E_RNA)
where:
Base-Base interactions energy: -132.860
where: short stacking energy: -58.959
Base-Backbone interact. energy: -0.557
local terms energy: -85.234095
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -21.646
flat angles C4'-P-C4' energy: -23.799
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -12.621
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: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -223.632677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.632677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.632677 (E_RNA)
where:
Base-Base interactions energy: -130.857
where: short stacking energy: -68.227
Base-Backbone interact. energy: -0.672
local terms energy: -92.103604
where:
bonds (distance) C4'-P energy: -23.626
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -13.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -122.118675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.118675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.118675 (E_RNA)
where:
Base-Base interactions energy: -46.493
where: short stacking energy: -36.212
Base-Backbone interact. energy: -0.188
local terms energy: -75.438220
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -19.752
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -7.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -145.652402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.652402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.652402 (E_RNA)
where:
Base-Base interactions energy: -65.518
where: short stacking energy: -48.317
Base-Backbone interact. energy: 1.233
local terms energy: -81.367096
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -8.956
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: 113
Temperature: 1.300000
Total energy: -111.602741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.602741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.602741 (E_RNA)
where:
Base-Base interactions energy: -40.462
where: short stacking energy: -32.426
Base-Backbone interact. energy: -0.250
local terms energy: -70.890680
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -22.207
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -91.953493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.953493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.953493 (E_RNA)
where:
Base-Base interactions energy: -29.966
where: short stacking energy: -28.943
Base-Backbone interact. energy: -0.166
local terms energy: -61.821012
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -331.211630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.211630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.211630 (E_RNA)
where:
Base-Base interactions energy: -223.391
where: short stacking energy: -93.856
Base-Backbone interact. energy: -0.409
local terms energy: -107.411872
where:
bonds (distance) C4'-P energy: -22.802
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -17.983
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: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -306.892757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.892757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.892757 (E_RNA)
where:
Base-Base interactions energy: -194.515
where: short stacking energy: -98.419
Base-Backbone interact. energy: -0.236
local terms energy: -112.141244
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -17.603
tors. eta vs tors. theta energy: -29.890
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: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -295.025123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.025123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.025123 (E_RNA)
where:
Base-Base interactions energy: -194.162
where: short stacking energy: -88.445
Base-Backbone interact. energy: -0.617
local terms energy: -100.245400
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -23.912
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: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -272.868334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.868334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.868334 (E_RNA)
where:
Base-Base interactions energy: -180.535
where: short stacking energy: -78.446
Base-Backbone interact. energy: 0.313
local terms energy: -92.646951
where:
bonds (distance) C4'-P energy: -18.880
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -15.735
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: 5, replica: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -237.786124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.786124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.786124 (E_RNA)
where:
Base-Base interactions energy: -146.547
where: short stacking energy: -69.846
Base-Backbone interact. energy: -0.448
local terms energy: -90.791244
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -229.316911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.316911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.316911 (E_RNA)
where:
Base-Base interactions energy: -138.336
where: short stacking energy: -63.419
Base-Backbone interact. energy: -0.074
local terms energy: -90.906656
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -22.496
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: -20.421
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: 7, replica: 1
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -139.926457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.926457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.926457 (E_RNA)
where:
Base-Base interactions energy: -65.909
where: short stacking energy: -42.134
Base-Backbone interact. energy: -0.282
local terms energy: -73.735436
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -8.473
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: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -127.325143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.325143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.325143 (E_RNA)
where:
Base-Base interactions energy: -66.930
where: short stacking energy: -41.166
Base-Backbone interact. energy: 0.008
local terms energy: -60.402480
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -21.830
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -111.224639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.224639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.224639 (E_RNA)
where:
Base-Base interactions energy: -33.441
where: short stacking energy: -33.428
Base-Backbone interact. energy: 0.258
local terms energy: -78.042136
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -104.926061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.926061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.926061 (E_RNA)
where:
Base-Base interactions energy: -35.034
where: short stacking energy: -31.784
Base-Backbone interact. energy: 0.614
local terms energy: -70.506594
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -7.435
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: 1, replica: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -322.377767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.377767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.377767 (E_RNA)
where:
Base-Base interactions energy: -212.337
where: short stacking energy: -96.531
Base-Backbone interact. energy: -0.341
local terms energy: -109.699823
where:
bonds (distance) C4'-P energy: -20.400
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -25.984
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -25.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -294.915148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.915148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.915148 (E_RNA)
where:
Base-Base interactions energy: -191.569
where: short stacking energy: -101.299
Base-Backbone interact. energy: -0.004
local terms energy: -103.341945
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -28.847
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: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -304.169780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.169780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.169780 (E_RNA)
where:
Base-Base interactions energy: -192.352
where: short stacking energy: -95.800
Base-Backbone interact. energy: 0.533
local terms energy: -112.350990
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -23.671
flat angles C4'-P-C4' energy: -23.144
flat angles P-C4'-P energy: -17.224
tors. eta vs tors. theta energy: -28.401
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: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -278.774432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.774432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.774432 (E_RNA)
where:
Base-Base interactions energy: -182.352
where: short stacking energy: -81.195
Base-Backbone interact. energy: 1.027
local terms energy: -97.449102
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -24.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -254.889039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.889039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.889039 (E_RNA)
where:
Base-Base interactions energy: -159.073
where: short stacking energy: -82.345
Base-Backbone interact. energy: 0.572
local terms energy: -96.388638
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -24.352
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -195.454735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.454735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.454735 (E_RNA)
where:
Base-Base interactions energy: -101.516
where: short stacking energy: -63.714
Base-Backbone interact. energy: -0.170
local terms energy: -93.768689
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -18.845
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: 1
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -127.402448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.402448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.402448 (E_RNA)
where:
Base-Base interactions energy: -65.291
where: short stacking energy: -51.908
Base-Backbone interact. energy: -1.029
local terms energy: -61.082783
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -117.848168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.848168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.848168 (E_RNA)
where:
Base-Base interactions energy: -44.244
where: short stacking energy: -44.244
Base-Backbone interact. energy: -0.347
local terms energy: -73.257260
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -7.466
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: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -109.854934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.854934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.854934 (E_RNA)
where:
Base-Base interactions energy: -40.996
where: short stacking energy: -40.996
Base-Backbone interact. energy: -0.006
local terms energy: -68.852414
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -18.987
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -4.307
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: 2
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -104.476005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.476005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.476005 (E_RNA)
where:
Base-Base interactions energy: -36.671
where: short stacking energy: -37.671
Base-Backbone interact. energy: 0.953
local terms energy: -68.757177
where:
bonds (distance) C4'-P energy: -20.052
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -2.476
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: 1, replica: 8
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -294.764549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.764549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.764549 (E_RNA)
where:
Base-Base interactions energy: -191.664
where: short stacking energy: -97.301
Base-Backbone interact. energy: -0.040
local terms energy: -103.060043
where:
bonds (distance) C4'-P energy: -21.245
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -26.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -323.692025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.692025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.692025 (E_RNA)
where:
Base-Base interactions energy: -216.034
where: short stacking energy: -94.751
Base-Backbone interact. energy: -0.801
local terms energy: -106.856741
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -26.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -301.410253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.410253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.410253 (E_RNA)
where:
Base-Base interactions energy: -198.219
where: short stacking energy: -96.670
Base-Backbone interact. energy: -0.255
local terms energy: -102.936062
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -28.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -272.781415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.781415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.781415 (E_RNA)
where:
Base-Base interactions energy: -176.820
where: short stacking energy: -76.534
Base-Backbone interact. energy: -1.178
local terms energy: -94.783540
where:
bonds (distance) C4'-P energy: -17.866
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -22.960
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: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -208.213317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.213317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.213317 (E_RNA)
where:
Base-Base interactions energy: -128.264
where: short stacking energy: -62.366
Base-Backbone interact. energy: -0.184
local terms energy: -79.765205
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -240.778711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.778711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.778711 (E_RNA)
where:
Base-Base interactions energy: -149.163
where: short stacking energy: -81.411
Base-Backbone interact. energy: -0.142
local terms energy: -91.473614
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -21.331
flat angles P-C4'-P energy: -13.257
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: 7, replica: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -132.791322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.791322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.791322 (E_RNA)
where:
Base-Base interactions energy: -59.609
where: short stacking energy: -47.288
Base-Backbone interact. energy: -0.163
local terms energy: -73.019156
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -10.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -117.575712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.575712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.575712 (E_RNA)
where:
Base-Base interactions energy: -39.509
where: short stacking energy: -40.177
Base-Backbone interact. energy: -0.123
local terms energy: -77.943694
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -108.544569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.544569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.544569 (E_RNA)
where:
Base-Base interactions energy: -44.194
where: short stacking energy: -44.194
Base-Backbone interact. energy: -0.186
local terms energy: -64.165194
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -19.735
flat angles P-C4'-P energy: -1.084
tors. eta vs tors. theta energy: -8.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -105.194177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.194177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.194177 (E_RNA)
where:
Base-Base interactions energy: -41.174
where: short stacking energy: -37.733
Base-Backbone interact. energy: 0.040
local terms energy: -64.060814
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -292.493902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.493902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.493902 (E_RNA)
where:
Base-Base interactions energy: -187.875
where: short stacking energy: -95.180
Base-Backbone interact. energy: -1.085
local terms energy: -103.533318
where:
bonds (distance) C4'-P energy: -21.297
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -29.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -313.172988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.172988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.172988 (E_RNA)
where:
Base-Base interactions energy: -206.233
where: short stacking energy: -104.955
Base-Backbone interact. energy: -0.197
local terms energy: -106.743619
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -25.018
flat angles P-C4'-P energy: -18.554
tors. eta vs tors. theta energy: -27.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -294.100341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.100341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.100341 (E_RNA)
where:
Base-Base interactions energy: -189.955
where: short stacking energy: -83.713
Base-Backbone interact. energy: -1.559
local terms energy: -102.585593
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -23.701
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -25.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -281.071433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.071433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.071433 (E_RNA)
where:
Base-Base interactions energy: -184.239
where: short stacking energy: -84.468
Base-Backbone interact. energy: -0.622
local terms energy: -96.210526
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -19.875
flat angles C4'-P-C4' energy: -23.545
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -24.755
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: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -212.468194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.468194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.468194 (E_RNA)
where:
Base-Base interactions energy: -121.504
where: short stacking energy: -75.106
Base-Backbone interact. energy: 2.263
local terms energy: -93.226989
where:
bonds (distance) C4'-P energy: -20.278
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -17.707
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: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -217.885027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.885027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.885027 (E_RNA)
where:
Base-Base interactions energy: -129.788
where: short stacking energy: -57.128
Base-Backbone interact. energy: -0.349
local terms energy: -87.748112
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -24.691
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -12.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -120.940180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.940180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.940180 (E_RNA)
where:
Base-Base interactions energy: -39.762
where: short stacking energy: -39.241
Base-Backbone interact. energy: 0.341
local terms energy: -81.518556
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -21.731
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -16.410
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: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -118.832557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.832557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.832557 (E_RNA)
where:
Base-Base interactions energy: -64.543
where: short stacking energy: -38.604
Base-Backbone interact. energy: 0.992
local terms energy: -55.281491
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -98.747169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.747169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.747169 (E_RNA)
where:
Base-Base interactions energy: -36.145
where: short stacking energy: -34.456
Base-Backbone interact. energy: -1.137
local terms energy: -61.465704
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -13.023
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: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -110.436989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.436989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.436989 (E_RNA)
where:
Base-Base interactions energy: -45.548
where: short stacking energy: -37.546
Base-Backbone interact. energy: 1.360
local terms energy: -66.249103
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -324.987888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.987888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.987888 (E_RNA)
where:
Base-Base interactions energy: -218.428
where: short stacking energy: -100.580
Base-Backbone interact. energy: -0.146
local terms energy: -106.414045
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -23.756
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -30.240
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: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -290.333732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.333732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.333732 (E_RNA)
where:
Base-Base interactions energy: -184.536
where: short stacking energy: -99.638
Base-Backbone interact. energy: -0.432
local terms energy: -105.365549
where:
bonds (distance) C4'-P energy: -22.405
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -31.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -303.072938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.072938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.072938 (E_RNA)
where:
Base-Base interactions energy: -201.621
where: short stacking energy: -86.957
Base-Backbone interact. energy: 0.855
local terms energy: -102.307611
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -23.840
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: 118
Temperature: 1.050000
Total energy: -273.970010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.970010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.970010 (E_RNA)
where:
Base-Base interactions energy: -184.869
where: short stacking energy: -73.610
Base-Backbone interact. energy: -0.864
local terms energy: -88.237000
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -19.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -234.575562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.575562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.575562 (E_RNA)
where:
Base-Base interactions energy: -148.312
where: short stacking energy: -66.089
Base-Backbone interact. energy: -0.190
local terms energy: -86.073502
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -15.788
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: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -178.378626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.378626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.378626 (E_RNA)
where:
Base-Base interactions energy: -96.710
where: short stacking energy: -61.410
Base-Backbone interact. energy: -0.312
local terms energy: -81.356078
where:
bonds (distance) C4'-P energy: -22.351
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -10.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -123.572656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.572656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.572656 (E_RNA)
where:
Base-Base interactions energy: -60.775
where: short stacking energy: -56.059
Base-Backbone interact. energy: -0.679
local terms energy: -62.119052
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -6.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -116.259439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.259439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.259439 (E_RNA)
where:
Base-Base interactions energy: -48.973
where: short stacking energy: -37.124
Base-Backbone interact. energy: -0.140
local terms energy: -67.146232
where:
bonds (distance) C4'-P energy: -19.853
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -111.976283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.976283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.976283 (E_RNA)
where:
Base-Base interactions energy: -41.446
where: short stacking energy: -30.925
Base-Backbone interact. energy: -0.042
local terms energy: -70.488599
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -104.354363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.354363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.354363 (E_RNA)
where:
Base-Base interactions energy: -43.072
where: short stacking energy: -34.181
Base-Backbone interact. energy: -0.098
local terms energy: -61.184562
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -13.629
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: 1, replica: 10
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -321.289746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.289746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.289746 (E_RNA)
where:
Base-Base interactions energy: -204.482
where: short stacking energy: -88.373
Base-Backbone interact. energy: 0.825
local terms energy: -117.632666
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -24.225
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -29.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -290.000000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.000000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.000000 (E_RNA)
where:
Base-Base interactions energy: -186.244
where: short stacking energy: -92.067
Base-Backbone interact. energy: 0.374
local terms energy: -104.129658
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -27.515
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: 119
Temperature: 1.000000
Total energy: -314.586776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.586776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.586776 (E_RNA)
where:
Base-Base interactions energy: -210.658
where: short stacking energy: -94.634
Base-Backbone interact. energy: 3.699
local terms energy: -107.627534
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -22.334
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -30.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -231.411668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.411668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.411668 (E_RNA)
where:
Base-Base interactions energy: -135.373
where: short stacking energy: -69.461
Base-Backbone interact. energy: -1.574
local terms energy: -94.464825
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -19.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -270.562551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.562551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.562551 (E_RNA)
where:
Base-Base interactions energy: -178.700
where: short stacking energy: -68.682
Base-Backbone interact. energy: -1.199
local terms energy: -90.662983
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -13.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -178.588188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.588188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.588188 (E_RNA)
where:
Base-Base interactions energy: -88.292
where: short stacking energy: -56.352
Base-Backbone interact. energy: -0.097
local terms energy: -90.199013
where:
bonds (distance) C4'-P energy: -23.501
bonds (distance) P-C4' energy: -20.441
flat angles C4'-P-C4' energy: -22.346
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -10.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -128.097706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.097706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.097706 (E_RNA)
where:
Base-Base interactions energy: -52.710
where: short stacking energy: -52.657
Base-Backbone interact. energy: -0.146
local terms energy: -75.241840
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -115.648258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.648258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.648258 (E_RNA)
where:
Base-Base interactions energy: -46.794
where: short stacking energy: -42.520
Base-Backbone interact. energy: 1.057
local terms energy: -69.911516
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -122.838234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.838234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.838234 (E_RNA)
where:
Base-Base interactions energy: -52.233
where: short stacking energy: -51.483
Base-Backbone interact. energy: -0.290
local terms energy: -70.315089
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -101.719274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.719274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.719274 (E_RNA)
where:
Base-Base interactions energy: -37.527
where: short stacking energy: -33.887
Base-Backbone interact. energy: -0.858
local terms energy: -63.334667
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -12.886
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)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -311.827090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.827090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.827090 (E_RNA)
where:
Base-Base interactions energy: -204.519
where: short stacking energy: -88.464
Base-Backbone interact. energy: -1.318
local terms energy: -105.990271
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -26.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -292.079401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.079401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.079401 (E_RNA)
where:
Base-Base interactions energy: -181.617
where: short stacking energy: -99.008
Base-Backbone interact. energy: -0.155
local terms energy: -110.307899
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -23.082
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -29.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -319.721966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.721966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.721966 (E_RNA)
where:
Base-Base interactions energy: -221.440
where: short stacking energy: -87.948
Base-Backbone interact. energy: -0.390
local terms energy: -97.892418
where:
bonds (distance) C4'-P energy: -22.723
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -25.252
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: 4, replica: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -247.494426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.494426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.494426 (E_RNA)
where:
Base-Base interactions energy: -160.231
where: short stacking energy: -72.656
Base-Backbone interact. energy: 2.043
local terms energy: -89.306650
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -22.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -232.300660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.300660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.300660 (E_RNA)
where:
Base-Base interactions energy: -154.395
where: short stacking energy: -69.458
Base-Backbone interact. energy: -0.798
local terms energy: -77.107438
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -6.569
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: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -191.209969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.209969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.209969 (E_RNA)
where:
Base-Base interactions energy: -103.598
where: short stacking energy: -56.711
Base-Backbone interact. energy: -0.412
local terms energy: -87.200697
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -14.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -130.304537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.304537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.304537 (E_RNA)
where:
Base-Base interactions energy: -50.838
where: short stacking energy: -50.838
Base-Backbone interact. energy: -0.129
local terms energy: -79.337988
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -11.107
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: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -116.946105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.946105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.946105 (E_RNA)
where:
Base-Base interactions energy: -39.662
where: short stacking energy: -30.335
Base-Backbone interact. energy: -0.147
local terms energy: -77.137143
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -102.401554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.401554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.401554 (E_RNA)
where:
Base-Base interactions energy: -44.838
where: short stacking energy: -38.691
Base-Backbone interact. energy: -0.220
local terms energy: -57.342923
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -2.420
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -9.609
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: 120
Temperature: 1.350000
Total energy: -99.884114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.884114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.884114 (E_RNA)
where:
Base-Base interactions energy: -35.776
where: short stacking energy: -35.034
Base-Backbone interact. energy: -0.151
local terms energy: -63.956992
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -324.096859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.096859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.096859 (E_RNA)
where:
Base-Base interactions energy: -213.269
where: short stacking energy: -90.411
Base-Backbone interact. energy: 1.044
local terms energy: -111.872231
where:
bonds (distance) C4'-P energy: -24.275
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -27.792
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: 121
Temperature: 0.950000
Total energy: -322.366824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.366824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.366824 (E_RNA)
where:
Base-Base interactions energy: -210.525
where: short stacking energy: -88.966
Base-Backbone interact. energy: 0.072
local terms energy: -111.913573
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -17.718
tors. eta vs tors. theta energy: -27.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -295.950700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.950700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.950700 (E_RNA)
where:
Base-Base interactions energy: -197.395
where: short stacking energy: -99.799
Base-Backbone interact. energy: -0.060
local terms energy: -98.495785
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -30.486
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: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -241.426758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.426758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.426758 (E_RNA)
where:
Base-Base interactions energy: -149.851
where: short stacking energy: -80.495
Base-Backbone interact. energy: -0.199
local terms energy: -91.376472
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -19.761
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: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -236.469463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.469463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.469463 (E_RNA)
where:
Base-Base interactions energy: -143.970
where: short stacking energy: -68.779
Base-Backbone interact. energy: -0.117
local terms energy: -92.382931
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -20.678
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: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -184.584218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.584218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.584218 (E_RNA)
where:
Base-Base interactions energy: -96.370
where: short stacking energy: -64.848
Base-Backbone interact. energy: -0.215
local terms energy: -87.999160
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -132.408445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.408445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.408445 (E_RNA)
where:
Base-Base interactions energy: -66.764
where: short stacking energy: -39.792
Base-Backbone interact. energy: -0.110
local terms energy: -65.534539
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -5.649
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: 2
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -117.612667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.612667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.612667 (E_RNA)
where:
Base-Base interactions energy: -52.025
where: short stacking energy: -46.217
Base-Backbone interact. energy: -0.325
local terms energy: -65.262569
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -115.667075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.667075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.667075 (E_RNA)
where:
Base-Base interactions energy: -49.310
where: short stacking energy: -30.985
Base-Backbone interact. energy: -1.496
local terms energy: -64.860479
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -125.475869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.475869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.475869 (E_RNA)
where:
Base-Base interactions energy: -61.261
where: short stacking energy: -30.060
Base-Backbone interact. energy: -0.079
local terms energy: -64.136663
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -3.992
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: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -321.837101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.837101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.837101 (E_RNA)
where:
Base-Base interactions energy: -214.076
where: short stacking energy: -105.045
Base-Backbone interact. energy: -0.175
local terms energy: -107.586527
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -27.046
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: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -309.910599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.910599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.910599 (E_RNA)
where:
Base-Base interactions energy: -206.335
where: short stacking energy: -91.823
Base-Backbone interact. energy: -0.319
local terms energy: -103.256415
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -24.793
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: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -287.816342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.816342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.816342 (E_RNA)
where:
Base-Base interactions energy: -188.957
where: short stacking energy: -96.394
Base-Backbone interact. energy: -0.203
local terms energy: -98.655798
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -27.734
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: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -244.480164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.480164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.480164 (E_RNA)
where:
Base-Base interactions energy: -161.175
where: short stacking energy: -77.051
Base-Backbone interact. energy: -0.029
local terms energy: -83.275690
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -254.490590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.490590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.490590 (E_RNA)
where:
Base-Base interactions energy: -165.139
where: short stacking energy: -88.428
Base-Backbone interact. energy: 0.457
local terms energy: -89.809241
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -22.543
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -8.717
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: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -165.340781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.340781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.340781 (E_RNA)
where:
Base-Base interactions energy: -106.142
where: short stacking energy: -64.915
Base-Backbone interact. energy: -0.940
local terms energy: -58.259333
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -6.853
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -15.455
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: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -124.508840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.508840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.508840 (E_RNA)
where:
Base-Base interactions energy: -55.601
where: short stacking energy: -48.278
Base-Backbone interact. energy: 2.636
local terms energy: -71.544126
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -8.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -124.199898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.199898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.199898 (E_RNA)
where:
Base-Base interactions energy: -41.592
where: short stacking energy: -37.662
Base-Backbone interact. energy: -0.284
local terms energy: -82.323943
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -23.931
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -139.868432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.868432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.868432 (E_RNA)
where:
Base-Base interactions energy: -75.806
where: short stacking energy: -41.436
Base-Backbone interact. energy: -0.437
local terms energy: -63.626354
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -12.139
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: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -103.025544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.025544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.025544 (E_RNA)
where:
Base-Base interactions energy: -38.441
where: short stacking energy: -25.333
Base-Backbone interact. energy: -0.075
local terms energy: -64.509941
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: 2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -318.715628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.715628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.715628 (E_RNA)
where:
Base-Base interactions energy: -214.960
where: short stacking energy: -99.013
Base-Backbone interact. energy: 0.864
local terms energy: -104.619202
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: -26.587
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: 10
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -317.888715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.888715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.888715 (E_RNA)
where:
Base-Base interactions energy: -211.866
where: short stacking energy: -93.392
Base-Backbone interact. energy: -0.635
local terms energy: -105.387941
where:
bonds (distance) C4'-P energy: -24.585
bonds (distance) P-C4' energy: -23.194
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -22.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -290.460342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.460342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.460342 (E_RNA)
where:
Base-Base interactions energy: -185.271
where: short stacking energy: -100.677
Base-Backbone interact. energy: -0.070
local terms energy: -105.119139
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -24.160
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -30.029
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: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -240.471156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.471156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.471156 (E_RNA)
where:
Base-Base interactions energy: -153.450
where: short stacking energy: -80.306
Base-Backbone interact. energy: -1.083
local terms energy: -85.937950
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -10.259
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: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -253.008419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.008419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.008419 (E_RNA)
where:
Base-Base interactions energy: -163.963
where: short stacking energy: -86.008
Base-Backbone interact. energy: -0.118
local terms energy: -88.927857
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -22.583
flat angles P-C4'-P energy: -11.491
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: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -176.343918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.343918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.343918 (E_RNA)
where:
Base-Base interactions energy: -101.172
where: short stacking energy: -53.347
Base-Backbone interact. energy: -0.719
local terms energy: -74.452662
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -9.665
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: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -135.238482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.238482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.238482 (E_RNA)
where:
Base-Base interactions energy: -55.156
where: short stacking energy: -46.489
Base-Backbone interact. energy: -0.260
local terms energy: -79.822590
where:
bonds (distance) C4'-P energy: -21.908
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -15.593
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: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -122.533203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.533203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.533203 (E_RNA)
where:
Base-Base interactions energy: -62.544
where: short stacking energy: -34.181
Base-Backbone interact. energy: -0.407
local terms energy: -59.581425
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: 0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -144.230457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.230457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.230457 (E_RNA)
where:
Base-Base interactions energy: -62.419
where: short stacking energy: -38.252
Base-Backbone interact. energy: -0.214
local terms energy: -81.597753
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -9.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -105.516677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.516677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.516677 (E_RNA)
where:
Base-Base interactions energy: -50.451
where: short stacking energy: -38.415
Base-Backbone interact. energy: -0.391
local terms energy: -54.675032
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -327.474733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.474733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.474733 (E_RNA)
where:
Base-Base interactions energy: -216.661
where: short stacking energy: -91.923
Base-Backbone interact. energy: -0.148
local terms energy: -110.665395
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -24.864
flat angles C4'-P-C4' energy: -23.005
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -28.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -308.048173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.048173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.048173 (E_RNA)
where:
Base-Base interactions energy: -199.980
where: short stacking energy: -86.734
Base-Backbone interact. energy: -0.164
local terms energy: -107.904227
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -20.484
flat angles C4'-P-C4' energy: -23.230
flat angles P-C4'-P energy: -18.883
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: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -255.821883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.821883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.821883 (E_RNA)
where:
Base-Base interactions energy: -161.183
where: short stacking energy: -86.257
Base-Backbone interact. energy: -1.055
local terms energy: -93.584199
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -23.367
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -279.370977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.370977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.370977 (E_RNA)
where:
Base-Base interactions energy: -185.313
where: short stacking energy: -89.319
Base-Backbone interact. energy: -0.311
local terms energy: -93.746330
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -27.028
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: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -246.751625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.751625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.751625 (E_RNA)
where:
Base-Base interactions energy: -163.357
where: short stacking energy: -84.642
Base-Backbone interact. energy: 0.153
local terms energy: -83.548017
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -19.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -187.698940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.698940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.698940 (E_RNA)
where:
Base-Base interactions energy: -101.298
where: short stacking energy: -64.272
Base-Backbone interact. energy: -0.821
local terms energy: -85.580309
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -22.183
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: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -189.881710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.881710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.881710 (E_RNA)
where:
Base-Base interactions energy: -113.237
where: short stacking energy: -45.791
Base-Backbone interact. energy: -0.500
local terms energy: -76.144873
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -8.212
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: 124
Temperature: 1.250000
Total energy: -117.960987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.960987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.960987 (E_RNA)
where:
Base-Base interactions energy: -51.368
where: short stacking energy: -43.761
Base-Backbone interact. energy: 0.426
local terms energy: -67.019360
where:
bonds (distance) C4'-P energy: -7.723
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -11.498
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)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -103.880461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.880461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.880461 (E_RNA)
where:
Base-Base interactions energy: -34.142
where: short stacking energy: -28.815
Base-Backbone interact. energy: -0.159
local terms energy: -69.579798
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -12.309
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: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -104.217844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.217844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.217844 (E_RNA)
where:
Base-Base interactions energy: -34.569
where: short stacking energy: -32.562
Base-Backbone interact. energy: -0.329
local terms energy: -69.319766
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -316.395507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.395507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.395507 (E_RNA)
where:
Base-Base interactions energy: -209.421
where: short stacking energy: -97.367
Base-Backbone interact. energy: 0.381
local terms energy: -107.355532
where:
bonds (distance) C4'-P energy: -20.325
bonds (distance) P-C4' energy: -21.082
flat angles C4'-P-C4' energy: -24.315
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -27.692
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: 9
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -308.340983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.340983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.340983 (E_RNA)
where:
Base-Base interactions energy: -209.129
where: short stacking energy: -86.367
Base-Backbone interact. energy: -0.843
local terms energy: -98.369509
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -9.379
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: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -262.674935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.674935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.674935 (E_RNA)
where:
Base-Base interactions energy: -165.498
where: short stacking energy: -86.565
Base-Backbone interact. energy: -0.365
local terms energy: -96.812402
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -26.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -253.660005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.660005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.660005 (E_RNA)
where:
Base-Base interactions energy: -156.387
where: short stacking energy: -86.895
Base-Backbone interact. energy: -0.026
local terms energy: -97.247267
where:
bonds (distance) C4'-P energy: -21.649
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -23.126
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -267.218987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.218987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.218987 (E_RNA)
where:
Base-Base interactions energy: -164.129
where: short stacking energy: -90.109
Base-Backbone interact. energy: -1.455
local terms energy: -101.635270
where:
bonds (distance) C4'-P energy: -18.652
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -28.506
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: 125
Temperature: 1.150000
Total energy: -199.221318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.221318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.221318 (E_RNA)
where:
Base-Base interactions energy: -116.777
where: short stacking energy: -63.928
Base-Backbone interact. energy: -0.212
local terms energy: -82.232919
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -15.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -196.504392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.504392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.504392 (E_RNA)
where:
Base-Base interactions energy: -114.049
where: short stacking energy: -66.551
Base-Backbone interact. energy: -0.125
local terms energy: -82.330591
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -17.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -129.138738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.138738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.138738 (E_RNA)
where:
Base-Base interactions energy: -62.075
where: short stacking energy: -36.684
Base-Backbone interact. energy: 0.748
local terms energy: -67.811752
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -5.843
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: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -112.853310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.853310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.853310 (E_RNA)
where:
Base-Base interactions energy: -47.707
where: short stacking energy: -31.821
Base-Backbone interact. energy: -0.109
local terms energy: -65.037587
where:
bonds (distance) C4'-P energy: -23.749
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: 0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -96.733602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.733602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.733602 (E_RNA)
where:
Base-Base interactions energy: -27.618
where: short stacking energy: -26.534
Base-Backbone interact. energy: -0.838
local terms energy: -68.277205
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -332.693687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.693687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.693687 (E_RNA)
where:
Base-Base interactions energy: -226.129
where: short stacking energy: -93.152
Base-Backbone interact. energy: 1.777
local terms energy: -108.342236
where:
bonds (distance) C4'-P energy: -21.788
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -23.681
flat angles P-C4'-P energy: -19.440
tors. eta vs tors. theta energy: -24.706
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: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -317.621387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.621387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.621387 (E_RNA)
where:
Base-Base interactions energy: -211.485
where: short stacking energy: -83.206
Base-Backbone interact. energy: -1.079
local terms energy: -105.056676
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -26.673
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: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -279.705997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.705997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.705997 (E_RNA)
where:
Base-Base interactions energy: -181.014
where: short stacking energy: -82.794
Base-Backbone interact. energy: -0.599
local terms energy: -98.092251
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -234.772730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.772730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.772730 (E_RNA)
where:
Base-Base interactions energy: -149.252
where: short stacking energy: -77.604
Base-Backbone interact. energy: 1.322
local terms energy: -86.843156
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -16.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -262.740033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.740033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.740033 (E_RNA)
where:
Base-Base interactions energy: -160.175
where: short stacking energy: -83.368
Base-Backbone interact. energy: -0.239
local terms energy: -102.326293
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -26.160
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: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -195.340976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.340976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.340976 (E_RNA)
where:
Base-Base interactions energy: -116.516
where: short stacking energy: -69.043
Base-Backbone interact. energy: -0.217
local terms energy: -78.608737
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -15.100
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: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -138.204116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.204116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.204116 (E_RNA)
where:
Base-Base interactions energy: -66.638
where: short stacking energy: -42.068
Base-Backbone interact. energy: -0.636
local terms energy: -70.929902
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -7.536
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: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -177.718232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.718232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.718232 (E_RNA)
where:
Base-Base interactions energy: -101.657
where: short stacking energy: -67.780
Base-Backbone interact. energy: -0.367
local terms energy: -75.694259
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -15.817
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: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -109.360573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.360573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.360573 (E_RNA)
where:
Base-Base interactions energy: -45.705
where: short stacking energy: -26.149
Base-Backbone interact. energy: 0.344
local terms energy: -63.999134
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -23.678
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -8.307
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)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -96.341815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.341815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.341815 (E_RNA)
where:
Base-Base interactions energy: -32.841
where: short stacking energy: -25.021
Base-Backbone interact. energy: -0.159
local terms energy: -63.342544
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: 2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -328.021113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.021113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.021113 (E_RNA)
where:
Base-Base interactions energy: -218.322
where: short stacking energy: -93.308
Base-Backbone interact. energy: -0.220
local terms energy: -109.478869
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -23.318
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -26.525
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: 10
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -303.307190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.307190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.307190 (E_RNA)
where:
Base-Base interactions energy: -195.708
where: short stacking energy: -88.618
Base-Backbone interact. energy: -1.254
local terms energy: -106.344740
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -22.038
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -26.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -270.073814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.073814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.073814 (E_RNA)
where:
Base-Base interactions energy: -172.623
where: short stacking energy: -93.935
Base-Backbone interact. energy: -0.201
local terms energy: -97.249077
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -20.829
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -19.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -269.765131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.765131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.765131 (E_RNA)
where:
Base-Base interactions energy: -169.805
where: short stacking energy: -79.529
Base-Backbone interact. energy: -0.746
local terms energy: -99.214304
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -26.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -232.310560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.310560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.310560 (E_RNA)
where:
Base-Base interactions energy: -143.888
where: short stacking energy: -73.982
Base-Backbone interact. energy: 0.111
local terms energy: -88.534006
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -22.838
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -15.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -186.988920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.988920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.988920 (E_RNA)
where:
Base-Base interactions energy: -102.182
where: short stacking energy: -62.189
Base-Backbone interact. energy: -0.249
local terms energy: -84.558263
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -126.687229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.687229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.687229 (E_RNA)
where:
Base-Base interactions energy: -53.754
where: short stacking energy: -50.146
Base-Backbone interact. energy: 1.571
local terms energy: -74.503996
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -19.719
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -5.731
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: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -164.542389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.542389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.542389 (E_RNA)
where:
Base-Base interactions energy: -92.177
where: short stacking energy: -37.610
Base-Backbone interact. energy: -0.588
local terms energy: -71.778072
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -11.789
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: 127
Temperature: 1.300000
Total energy: -118.688725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.688725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.688725 (E_RNA)
where:
Base-Base interactions energy: -48.038
where: short stacking energy: -39.765
Base-Backbone interact. energy: -0.272
local terms energy: -70.378226
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -20.456
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -16.211
tors. eta vs tors. theta energy: -3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -173.199245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.199245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.199245 (E_RNA)
where:
Base-Base interactions energy: -100.696
where: short stacking energy: -55.299
Base-Backbone interact. energy: 0.043
local terms energy: -72.546235
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -305.963456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.963456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.963456 (E_RNA)
where:
Base-Base interactions energy: -196.852
where: short stacking energy: -84.646
Base-Backbone interact. energy: 2.536
local terms energy: -111.647772
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -24.021
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -17.517
tors. eta vs tors. theta energy: -25.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -325.696580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.696580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.696580 (E_RNA)
where:
Base-Base interactions energy: -225.408
where: short stacking energy: -93.483
Base-Backbone interact. energy: -1.132
local terms energy: -99.156503
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -25.999
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: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -276.738902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.738902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.738902 (E_RNA)
where:
Base-Base interactions energy: -180.587
where: short stacking energy: -84.826
Base-Backbone interact. energy: -0.109
local terms energy: -96.042423
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -25.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -250.231419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.231419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.231419 (E_RNA)
where:
Base-Base interactions energy: -166.094
where: short stacking energy: -91.730
Base-Backbone interact. energy: -0.087
local terms energy: -84.050575
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -20.002
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -20.683
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: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -243.736909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.736909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.736909 (E_RNA)
where:
Base-Base interactions energy: -159.234
where: short stacking energy: -73.996
Base-Backbone interact. energy: 0.848
local terms energy: -85.350421
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -23.606
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -16.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -121.271346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.271346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.271346 (E_RNA)
where:
Base-Base interactions energy: -46.981
where: short stacking energy: -45.074
Base-Backbone interact. energy: -0.186
local terms energy: -74.105041
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -2.140
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: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -130.952392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.952392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.952392 (E_RNA)
where:
Base-Base interactions energy: -46.244
where: short stacking energy: -46.244
Base-Backbone interact. energy: -0.138
local terms energy: -84.570780
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -174.360798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.360798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.360798 (E_RNA)
where:
Base-Base interactions energy: -92.945
where: short stacking energy: -58.623
Base-Backbone interact. energy: 0.260
local terms energy: -81.675745
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -10.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -195.158131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.158131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.158131 (E_RNA)
where:
Base-Base interactions energy: -123.376
where: short stacking energy: -62.881
Base-Backbone interact. energy: -0.656
local terms energy: -71.126198
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -19.975
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -12.307
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: 128
Temperature: 1.350000
Total energy: -103.513155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.513155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.513155 (E_RNA)
where:
Base-Base interactions energy: -43.019
where: short stacking energy: -37.608
Base-Backbone interact. energy: -0.166
local terms energy: -60.328206
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -6.824
flat angles P-C4'-P energy: -15.667
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: 1, replica: 10
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -314.980196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.980196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.980196 (E_RNA)
where:
Base-Base interactions energy: -212.003
where: short stacking energy: -95.275
Base-Backbone interact. energy: -0.479
local terms energy: -102.497841
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -23.222
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -24.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -311.629820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.629820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.629820 (E_RNA)
where:
Base-Base interactions energy: -208.000
where: short stacking energy: -99.107
Base-Backbone interact. energy: 1.202
local terms energy: -104.832000
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -26.454
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: 3, replica: 8
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -279.338227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.338227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.338227 (E_RNA)
where:
Base-Base interactions energy: -180.890
where: short stacking energy: -84.748
Base-Backbone interact. energy: -0.911
local terms energy: -97.537175
where:
bonds (distance) C4'-P energy: -21.344
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -26.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -254.205510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.205510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.205510 (E_RNA)
where:
Base-Base interactions energy: -161.977
where: short stacking energy: -89.154
Base-Backbone interact. energy: -0.613
local terms energy: -91.615955
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -23.755
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: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -281.908853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.908853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.908853 (E_RNA)
where:
Base-Base interactions energy: -181.509
where: short stacking energy: -84.231
Base-Backbone interact. energy: -0.654
local terms energy: -99.745360
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -25.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -138.596388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.596388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.596388 (E_RNA)
where:
Base-Base interactions energy: -69.566
where: short stacking energy: -39.067
Base-Backbone interact. energy: -0.621
local terms energy: -68.408692
where:
bonds (distance) C4'-P energy: -19.635
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -10.662
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: 7, replica: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -133.829642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.829642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.829642 (E_RNA)
where:
Base-Base interactions energy: -55.438
where: short stacking energy: -46.068
Base-Backbone interact. energy: -0.020
local terms energy: -78.371641
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -24.039
flat angles P-C4'-P energy: -2.426
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: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -197.207524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.207524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.207524 (E_RNA)
where:
Base-Base interactions energy: -113.865
where: short stacking energy: -66.579
Base-Backbone interact. energy: 0.301
local terms energy: -83.643228
where:
bonds (distance) C4'-P energy: -24.056
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -15.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -120.344362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.344362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.344362 (E_RNA)
where:
Base-Base interactions energy: -56.950
where: short stacking energy: -40.056
Base-Backbone interact. energy: 1.314
local terms energy: -64.708348
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -102.294792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.294792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.294792 (E_RNA)
where:
Base-Base interactions energy: -33.238
where: short stacking energy: -33.373
Base-Backbone interact. energy: 1.289
local terms energy: -70.345859
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -22.564
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -312.763179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.763179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.763179 (E_RNA)
where:
Base-Base interactions energy: -206.413
where: short stacking energy: -95.274
Base-Backbone interact. energy: -0.351
local terms energy: -105.999437
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -307.143403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.143403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.143403 (E_RNA)
where:
Base-Base interactions energy: -196.729
where: short stacking energy: -98.591
Base-Backbone interact. energy: -0.193
local terms energy: -110.221050
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -27.783
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: 3, replica: 8
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -276.355364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.355364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.355364 (E_RNA)
where:
Base-Base interactions energy: -175.652
where: short stacking energy: -84.996
Base-Backbone interact. energy: -0.071
local terms energy: -100.632386
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -23.615
flat angles P-C4'-P energy: -17.452
tors. eta vs tors. theta energy: -22.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -254.169681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.169681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.169681 (E_RNA)
where:
Base-Base interactions energy: -158.122
where: short stacking energy: -80.754
Base-Backbone interact. energy: -0.078
local terms energy: -95.969568
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -24.734
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -283.544365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.544365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.544365 (E_RNA)
where:
Base-Base interactions energy: -191.198
where: short stacking energy: -83.039
Base-Backbone interact. energy: -0.684
local terms energy: -91.661559
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -23.901
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -190.183669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.183669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.183669 (E_RNA)
where:
Base-Base interactions energy: -104.567
where: short stacking energy: -53.049
Base-Backbone interact. energy: -0.863
local terms energy: -84.753590
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -22.182
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -10.113
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: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -174.404159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.404159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.404159 (E_RNA)
where:
Base-Base interactions energy: -93.109
where: short stacking energy: -61.091
Base-Backbone interact. energy: -0.266
local terms energy: -81.029426
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -9.475
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: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -107.983657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.983657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.983657 (E_RNA)
where:
Base-Base interactions energy: -41.769
where: short stacking energy: -31.020
Base-Backbone interact. energy: -0.229
local terms energy: -65.986064
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -7.495
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: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -117.843696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.843696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.843696 (E_RNA)
where:
Base-Base interactions energy: -50.822
where: short stacking energy: -42.960
Base-Backbone interact. energy: 0.854
local terms energy: -67.876038
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -1.921
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: 10, replica: 2
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -112.751805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.751805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.751805 (E_RNA)
where:
Base-Base interactions energy: -46.410
where: short stacking energy: -34.933
Base-Backbone interact. energy: -0.564
local terms energy: -65.777348
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -319.233305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.233305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.233305 (E_RNA)
where:
Base-Base interactions energy: -218.238
where: short stacking energy: -90.051
Base-Backbone interact. energy: -0.548
local terms energy: -100.446678
where:
bonds (distance) C4'-P energy: -21.912
bonds (distance) P-C4' energy: -21.575
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -309.721037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.721037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.721037 (E_RNA)
where:
Base-Base interactions energy: -204.603
where: short stacking energy: -107.866
Base-Backbone interact. energy: -0.174
local terms energy: -104.944054
where:
bonds (distance) C4'-P energy: -21.732
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -24.263
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -26.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -289.232355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.232355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.232355 (E_RNA)
where:
Base-Base interactions energy: -191.713
where: short stacking energy: -93.781
Base-Backbone interact. energy: -0.712
local terms energy: -96.806923
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -19.015
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -24.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -248.112454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.112454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.112454 (E_RNA)
where:
Base-Base interactions energy: -157.457
where: short stacking energy: -69.171
Base-Backbone interact. energy: 0.698
local terms energy: -91.353412
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -14.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -246.650213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.650213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.650213 (E_RNA)
where:
Base-Base interactions energy: -162.812
where: short stacking energy: -66.512
Base-Backbone interact. energy: -0.680
local terms energy: -83.159065
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -13.654
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: 6, replica: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -185.702354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.702354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.702354 (E_RNA)
where:
Base-Base interactions energy: -97.817
where: short stacking energy: -59.435
Base-Backbone interact. energy: -0.358
local terms energy: -87.526956
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -11.833
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: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -125.807561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.807561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.807561 (E_RNA)
where:
Base-Base interactions energy: -61.116
where: short stacking energy: -45.959
Base-Backbone interact. energy: -0.470
local terms energy: -64.221971
where:
bonds (distance) C4'-P energy: -19.917
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -8.176
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: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -114.341950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.341950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.341950 (E_RNA)
where:
Base-Base interactions energy: -39.018
where: short stacking energy: -35.785
Base-Backbone interact. energy: -0.147
local terms energy: -75.177069
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -21.682
flat angles P-C4'-P energy: -15.325
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: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -99.980485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.980485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.980485 (E_RNA)
where:
Base-Base interactions energy: -30.106
where: short stacking energy: -25.938
Base-Backbone interact. energy: -0.281
local terms energy: -69.592996
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -21.327
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -0.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -108.642924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.642924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.642924 (E_RNA)
where:
Base-Base interactions energy: -45.446
where: short stacking energy: -26.724
Base-Backbone interact. energy: -1.020
local terms energy: -62.177192
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: 5.723
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: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -303.824024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.824024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.824024 (E_RNA)
where:
Base-Base interactions energy: -209.989
where: short stacking energy: -97.855
Base-Backbone interact. energy: 0.697
local terms energy: -94.532599
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -22.429
flat angles P-C4'-P energy: -15.419
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -308.463158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.463158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.463158 (E_RNA)
where:
Base-Base interactions energy: -207.894
where: short stacking energy: -102.421
Base-Backbone interact. energy: -0.211
local terms energy: -100.357700
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -22.357
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -27.121
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: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -282.484927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.484927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.484927 (E_RNA)
where:
Base-Base interactions energy: -175.838
where: short stacking energy: -84.446
Base-Backbone interact. energy: -0.927
local terms energy: -105.719670
where:
bonds (distance) C4'-P energy: -21.101
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -18.189
tors. eta vs tors. theta energy: -25.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -250.937222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.937222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.937222 (E_RNA)
where:
Base-Base interactions energy: -159.941
where: short stacking energy: -78.884
Base-Backbone interact. energy: 1.036
local terms energy: -92.032225
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -20.014
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -15.728
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: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -245.827039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.827039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.827039 (E_RNA)
where:
Base-Base interactions energy: -153.207
where: short stacking energy: -75.071
Base-Backbone interact. energy: -0.509
local terms energy: -92.110947
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -22.365
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: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -177.359823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.359823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.359823 (E_RNA)
where:
Base-Base interactions energy: -99.156
where: short stacking energy: -61.650
Base-Backbone interact. energy: -0.228
local terms energy: -77.976032
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -15.548
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: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -133.036115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.036115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.036115 (E_RNA)
where:
Base-Base interactions energy: -69.821
where: short stacking energy: -43.563
Base-Backbone interact. energy: -0.374
local terms energy: -62.841431
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -11.801
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)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -114.420479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.420479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.420479 (E_RNA)
where:
Base-Base interactions energy: -43.461
where: short stacking energy: -39.650
Base-Backbone interact. energy: -0.105
local terms energy: -70.854497
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -8.181
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: 9, replica: 2
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -114.739648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.739648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.739648 (E_RNA)
where:
Base-Base interactions energy: -57.835
where: short stacking energy: -40.291
Base-Backbone interact. energy: -0.020
local terms energy: -56.884288
where:
bonds (distance) C4'-P energy: -10.006
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -114.630875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.630875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.630875 (E_RNA)
where:
Base-Base interactions energy: -45.888
where: short stacking energy: -39.250
Base-Backbone interact. energy: -0.295
local terms energy: -68.447945
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -21.070
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -7.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -322.092783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.092783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.092783 (E_RNA)
where:
Base-Base interactions energy: -216.286
where: short stacking energy: -90.492
Base-Backbone interact. energy: -0.189
local terms energy: -105.617587
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -24.414
flat angles P-C4'-P energy: -15.929
tors. eta vs tors. theta energy: -25.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -319.368378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.368378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.368378 (E_RNA)
where:
Base-Base interactions energy: -206.454
where: short stacking energy: -109.458
Base-Backbone interact. energy: -0.196
local terms energy: -112.717479
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -23.770
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -18.993
tors. eta vs tors. theta energy: -28.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -286.166665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.166665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.166665 (E_RNA)
where:
Base-Base interactions energy: -180.063
where: short stacking energy: -88.455
Base-Backbone interact. energy: -1.705
local terms energy: -104.398879
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -16.719
tors. eta vs tors. theta energy: -27.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -256.081041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.081041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.081041 (E_RNA)
where:
Base-Base interactions energy: -165.517
where: short stacking energy: -80.373
Base-Backbone interact. energy: -0.249
local terms energy: -90.314774
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -261.550011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.550011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.550011 (E_RNA)
where:
Base-Base interactions energy: -170.821
where: short stacking energy: -80.340
Base-Backbone interact. energy: -0.352
local terms energy: -90.376308
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -19.765
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -22.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -180.573949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.573949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.573949 (E_RNA)
where:
Base-Base interactions energy: -91.297
where: short stacking energy: -62.217
Base-Backbone interact. energy: 1.025
local terms energy: -90.301938
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -25.287
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -17.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -123.717260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.717260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.717260 (E_RNA)
where:
Base-Base interactions energy: -54.143
where: short stacking energy: -50.334
Base-Backbone interact. energy: -1.583
local terms energy: -67.990846
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -137.353831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.353831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.353831 (E_RNA)
where:
Base-Base interactions energy: -66.722
where: short stacking energy: -43.864
Base-Backbone interact. energy: -0.261
local terms energy: -70.370972
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -23.609
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -127.330970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.330970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.330970 (E_RNA)
where:
Base-Base interactions energy: -68.779
where: short stacking energy: -44.273
Base-Backbone interact. energy: -0.982
local terms energy: -57.570673
where:
bonds (distance) C4'-P energy: -20.420
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -3.870
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -95.653722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.653722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.653722 (E_RNA)
where:
Base-Base interactions energy: -30.903
where: short stacking energy: -21.603
Base-Backbone interact. energy: -0.473
local terms energy: -64.277227
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -317.738751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.738751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.738751 (E_RNA)
where:
Base-Base interactions energy: -207.409
where: short stacking energy: -87.787
Base-Backbone interact. energy: -0.721
local terms energy: -109.608097
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -24.223
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -29.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -311.649297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.649297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.649297 (E_RNA)
where:
Base-Base interactions energy: -206.690
where: short stacking energy: -100.084
Base-Backbone interact. energy: 0.157
local terms energy: -105.116981
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -22.257
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -29.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -262.168687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.168687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.168687 (E_RNA)
where:
Base-Base interactions energy: -165.530
where: short stacking energy: -84.602
Base-Backbone interact. energy: -0.735
local terms energy: -95.903260
where:
bonds (distance) C4'-P energy: -21.737
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -19.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -278.458664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.458664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.458664 (E_RNA)
where:
Base-Base interactions energy: -181.438
where: short stacking energy: -82.253
Base-Backbone interact. energy: -0.337
local terms energy: -96.683677
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -21.281
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: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -264.451185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.451185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.451185 (E_RNA)
where:
Base-Base interactions energy: -166.913
where: short stacking energy: -81.367
Base-Backbone interact. energy: -0.615
local terms energy: -96.923341
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -22.161
flat angles C4'-P-C4' energy: -21.169
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -189.373371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.373371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.373371 (E_RNA)
where:
Base-Base interactions energy: -106.104
where: short stacking energy: -69.836
Base-Backbone interact. energy: 1.348
local terms energy: -84.617495
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -13.712
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: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -113.710507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.710507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.710507 (E_RNA)
where:
Base-Base interactions energy: -42.478
where: short stacking energy: -43.078
Base-Backbone interact. energy: -1.770
local terms energy: -69.462489
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -12.351
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: 8, replica: 1
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -117.486911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.486911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.486911 (E_RNA)
where:
Base-Base interactions energy: -36.699
where: short stacking energy: -36.699
Base-Backbone interact. energy: -0.185
local terms energy: -80.602682
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -6.880
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: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -110.645792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.645792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.645792 (E_RNA)
where:
Base-Base interactions energy: -44.412
where: short stacking energy: -43.505
Base-Backbone interact. energy: -1.222
local terms energy: -65.011645
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -101.054243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.054243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.054243 (E_RNA)
where:
Base-Base interactions energy: -50.549
where: short stacking energy: -50.549
Base-Backbone interact. energy: 1.605
local terms energy: -52.110367
where:
bonds (distance) C4'-P energy: -6.104
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -312.813556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.813556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.813556 (E_RNA)
where:
Base-Base interactions energy: -208.003
where: short stacking energy: -89.031
Base-Backbone interact. energy: -1.447
local terms energy: -103.363928
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -23.048
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -22.811
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: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -312.810012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.810012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.810012 (E_RNA)
where:
Base-Base interactions energy: -204.360
where: short stacking energy: -109.463
Base-Backbone interact. energy: -0.843
local terms energy: -107.606864
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -25.152
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -28.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -263.152011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.152011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.152011 (E_RNA)
where:
Base-Base interactions energy: -163.687
where: short stacking energy: -91.869
Base-Backbone interact. energy: -0.037
local terms energy: -99.428409
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -21.674
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -21.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -273.365272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.365272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.365272 (E_RNA)
where:
Base-Base interactions energy: -183.388
where: short stacking energy: -74.948
Base-Backbone interact. energy: -0.103
local terms energy: -89.873516
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: -19.344
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: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -249.507050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.507050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.507050 (E_RNA)
where:
Base-Base interactions energy: -172.371
where: short stacking energy: -83.016
Base-Backbone interact. energy: -1.275
local terms energy: -75.861259
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -135.215489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.215489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.215489 (E_RNA)
where:
Base-Base interactions energy: -59.723
where: short stacking energy: -54.929
Base-Backbone interact. energy: -0.222
local terms energy: -75.270776
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -5.257
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: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -170.924739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.924739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.924739 (E_RNA)
where:
Base-Base interactions energy: -92.682
where: short stacking energy: -50.520
Base-Backbone interact. energy: -0.082
local terms energy: -78.160576
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -7.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -108.472128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.472128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.472128 (E_RNA)
where:
Base-Base interactions energy: -36.281
where: short stacking energy: -29.407
Base-Backbone interact. energy: -0.176
local terms energy: -72.015555
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -4.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -124.006611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.006611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.006611 (E_RNA)
where:
Base-Base interactions energy: -50.800
where: short stacking energy: -41.056
Base-Backbone interact. energy: 0.010
local terms energy: -73.215823
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -104.863651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.863651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.863651 (E_RNA)
where:
Base-Base interactions energy: -43.877
where: short stacking energy: -43.877
Base-Backbone interact. energy: -0.070
local terms energy: -60.915970
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -3.933
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: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -318.892125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.892125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.892125 (E_RNA)
where:
Base-Base interactions energy: -227.556
where: short stacking energy: -92.081
Base-Backbone interact. energy: -0.305
local terms energy: -91.031210
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -307.079849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.079849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.079849 (E_RNA)
where:
Base-Base interactions energy: -202.454
where: short stacking energy: -103.412
Base-Backbone interact. energy: -0.047
local terms energy: -104.578086
where:
bonds (distance) C4'-P energy: -21.083
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -28.131
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: 136
Temperature: 1.000000
Total energy: -277.809172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.809172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.809172 (E_RNA)
where:
Base-Base interactions energy: -181.300
where: short stacking energy: -70.718
Base-Backbone interact. energy: -0.264
local terms energy: -96.245151
where:
bonds (distance) C4'-P energy: -23.003
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -18.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -256.471154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.471154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.471154 (E_RNA)
where:
Base-Base interactions energy: -159.010
where: short stacking energy: -80.546
Base-Backbone interact. energy: -0.263
local terms energy: -97.198634
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -24.293
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -8.666
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: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -243.532269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.532269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.532269 (E_RNA)
where:
Base-Base interactions energy: -147.761
where: short stacking energy: -80.013
Base-Backbone interact. energy: -0.236
local terms energy: -95.535740
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -21.043
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -24.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -144.472194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.472194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.472194 (E_RNA)
where:
Base-Base interactions energy: -61.317
where: short stacking energy: -53.056
Base-Backbone interact. energy: -0.044
local terms energy: -83.111287
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -13.012
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: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -170.894534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.894534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.894534 (E_RNA)
where:
Base-Base interactions energy: -101.873
where: short stacking energy: -67.496
Base-Backbone interact. energy: -0.038
local terms energy: -68.983587
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -12.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -115.232557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.232557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.232557 (E_RNA)
where:
Base-Base interactions energy: -46.795
where: short stacking energy: -32.822
Base-Backbone interact. energy: -1.195
local terms energy: -67.242965
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -7.597
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -116.926124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.926124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.926124 (E_RNA)
where:
Base-Base interactions energy: -49.182
where: short stacking energy: -35.323
Base-Backbone interact. energy: -0.242
local terms energy: -67.501358
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -10.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -103.915616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.915616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.915616 (E_RNA)
where:
Base-Base interactions energy: -39.185
where: short stacking energy: -31.969
Base-Backbone interact. energy: -0.205
local terms energy: -64.526238
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: 2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -316.669238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.669238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.669238 (E_RNA)
where:
Base-Base interactions energy: -220.240
where: short stacking energy: -93.705
Base-Backbone interact. energy: -0.299
local terms energy: -96.130146
where:
bonds (distance) C4'-P energy: -21.590
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -21.087
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -16.490
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: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -319.352928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.352928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.352928 (E_RNA)
where:
Base-Base interactions energy: -209.567
where: short stacking energy: -97.862
Base-Backbone interact. energy: -0.542
local terms energy: -109.243796
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -29.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -262.383318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.383318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.383318 (E_RNA)
where:
Base-Base interactions energy: -167.162
where: short stacking energy: -80.145
Base-Backbone interact. energy: -0.667
local terms energy: -94.554656
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -20.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -257.665825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.665825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.665825 (E_RNA)
where:
Base-Base interactions energy: -168.604
where: short stacking energy: -77.982
Base-Backbone interact. energy: -0.448
local terms energy: -88.614042
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -24.769
flat angles P-C4'-P energy: -9.042
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: 5, replica: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -244.740412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.740412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.740412 (E_RNA)
where:
Base-Base interactions energy: -152.515
where: short stacking energy: -79.879
Base-Backbone interact. energy: -0.241
local terms energy: -91.984430
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -21.297
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -17.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -176.100583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.100583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.100583 (E_RNA)
where:
Base-Base interactions energy: -86.392
where: short stacking energy: -60.276
Base-Backbone interact. energy: -0.343
local terms energy: -89.365680
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -15.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -118.401517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.401517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.401517 (E_RNA)
where:
Base-Base interactions energy: -48.407
where: short stacking energy: -47.218
Base-Backbone interact. energy: -1.072
local terms energy: -68.922916
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -12.640
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: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -124.799809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.799809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.799809 (E_RNA)
where:
Base-Base interactions energy: -50.776
where: short stacking energy: -40.649
Base-Backbone interact. energy: -0.457
local terms energy: -73.566050
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -106.609283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.609283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.609283 (E_RNA)
where:
Base-Base interactions energy: -41.889
where: short stacking energy: -39.627
Base-Backbone interact. energy: 0.111
local terms energy: -64.831026
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -8.909
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: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -103.010805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.010805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.010805 (E_RNA)
where:
Base-Base interactions energy: -35.754
where: short stacking energy: -35.514
Base-Backbone interact. energy: -0.172
local terms energy: -67.084984
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -18.708
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -311.705804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.705804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.705804 (E_RNA)
where:
Base-Base interactions energy: -197.091
where: short stacking energy: -102.873
Base-Backbone interact. energy: -0.592
local terms energy: -114.022515
where:
bonds (distance) C4'-P energy: -23.283
bonds (distance) P-C4' energy: -23.518
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -30.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -325.775676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.775676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.775676 (E_RNA)
where:
Base-Base interactions energy: -217.811
where: short stacking energy: -92.332
Base-Backbone interact. energy: -0.297
local terms energy: -107.667875
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -23.627
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -23.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -288.055246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.055246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.055246 (E_RNA)
where:
Base-Base interactions energy: -196.104
where: short stacking energy: -85.594
Base-Backbone interact. energy: -0.377
local terms energy: -91.574814
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -20.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -262.656941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.656941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.656941 (E_RNA)
where:
Base-Base interactions energy: -169.048
where: short stacking energy: -82.211
Base-Backbone interact. energy: -0.261
local terms energy: -93.347905
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -225.559784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.559784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.559784 (E_RNA)
where:
Base-Base interactions energy: -148.438
where: short stacking energy: -76.272
Base-Backbone interact. energy: 0.007
local terms energy: -77.129554
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -20.745
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -12.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -166.019251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.019251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.019251 (E_RNA)
where:
Base-Base interactions energy: -90.144
where: short stacking energy: -64.327
Base-Backbone interact. energy: -0.355
local terms energy: -75.520820
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -122.934186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.934186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.934186 (E_RNA)
where:
Base-Base interactions energy: -47.519
where: short stacking energy: -36.612
Base-Backbone interact. energy: 0.021
local terms energy: -75.436626
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -5.255
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: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -113.529856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.529856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.529856 (E_RNA)
where:
Base-Base interactions energy: -42.579
where: short stacking energy: -37.642
Base-Backbone interact. energy: -0.821
local terms energy: -70.129688
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -3.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -114.192992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.192992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.192992 (E_RNA)
where:
Base-Base interactions energy: -41.946
where: short stacking energy: -38.456
Base-Backbone interact. energy: -0.095
local terms energy: -72.151311
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -108.285892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.285892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.285892 (E_RNA)
where:
Base-Base interactions energy: -40.014
where: short stacking energy: -15.973
Base-Backbone interact. energy: -1.339
local terms energy: -66.932662
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -23.662
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: 1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -313.779051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.779051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.779051 (E_RNA)
where:
Base-Base interactions energy: -206.282
where: short stacking energy: -94.978
Base-Backbone interact. energy: -1.339
local terms energy: -106.158054
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -21.748
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -25.751
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: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -288.984928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.984928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.984928 (E_RNA)
where:
Base-Base interactions energy: -185.724
where: short stacking energy: -83.657
Base-Backbone interact. energy: 0.194
local terms energy: -103.455232
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -22.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -299.259399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.259399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.259399 (E_RNA)
where:
Base-Base interactions energy: -201.422
where: short stacking energy: -91.273
Base-Backbone interact. energy: -0.402
local terms energy: -97.435117
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -24.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -249.301717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.301717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.301717 (E_RNA)
where:
Base-Base interactions energy: -157.917
where: short stacking energy: -76.158
Base-Backbone interact. energy: 0.104
local terms energy: -91.489225
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -22.931
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -208.039853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.039853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.039853 (E_RNA)
where:
Base-Base interactions energy: -126.580
where: short stacking energy: -67.569
Base-Backbone interact. energy: -0.059
local terms energy: -81.400713
where:
bonds (distance) C4'-P energy: -22.065
bonds (distance) P-C4' energy: -19.007
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -12.134
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: 1
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -129.166052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.166052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.166052 (E_RNA)
where:
Base-Base interactions energy: -49.361
where: short stacking energy: -48.244
Base-Backbone interact. energy: -1.108
local terms energy: -78.696371
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -157.874415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.874415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.874415 (E_RNA)
where:
Base-Base interactions energy: -76.450
where: short stacking energy: -44.587
Base-Backbone interact. energy: -0.101
local terms energy: -81.323432
where:
bonds (distance) C4'-P energy: -23.146
bonds (distance) P-C4' energy: -22.449
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -11.506
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: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -114.586828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.586828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.586828 (E_RNA)
where:
Base-Base interactions energy: -38.394
where: short stacking energy: -26.395
Base-Backbone interact. energy: -0.669
local terms energy: -75.523689
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: 0.479
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: 2
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -110.837989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.837989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.837989 (E_RNA)
where:
Base-Base interactions energy: -45.751
where: short stacking energy: -33.966
Base-Backbone interact. energy: -0.225
local terms energy: -64.861683
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -0.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -103.220648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.220648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.220648 (E_RNA)
where:
Base-Base interactions energy: -56.596
where: short stacking energy: -18.619
Base-Backbone interact. energy: -0.303
local terms energy: -46.320941
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: 5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -312.398325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.398325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.398325 (E_RNA)
where:
Base-Base interactions energy: -205.255
where: short stacking energy: -103.025
Base-Backbone interact. energy: -0.077
local terms energy: -107.066470
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -23.930
flat angles P-C4'-P energy: -17.552
tors. eta vs tors. theta energy: -25.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -283.265938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.265938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.265938 (E_RNA)
where:
Base-Base interactions energy: -185.732
where: short stacking energy: -85.362
Base-Backbone interact. energy: -0.140
local terms energy: -97.393655
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -22.035
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -25.110
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: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -304.128464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.128464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.128464 (E_RNA)
where:
Base-Base interactions energy: -198.139
where: short stacking energy: -93.848
Base-Backbone interact. energy: 0.475
local terms energy: -106.464525
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -23.306
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: -26.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -248.273241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.273241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.273241 (E_RNA)
where:
Base-Base interactions energy: -153.281
where: short stacking energy: -84.928
Base-Backbone interact. energy: -0.025
local terms energy: -94.967474
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -20.346
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -25.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -147.201681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.201681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.201681 (E_RNA)
where:
Base-Base interactions energy: -72.729
where: short stacking energy: -50.869
Base-Backbone interact. energy: -0.444
local terms energy: -74.028196
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -6.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -214.244651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.244651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.244651 (E_RNA)
where:
Base-Base interactions energy: -139.060
where: short stacking energy: -69.955
Base-Backbone interact. energy: -0.232
local terms energy: -74.952867
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -155.987918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.987918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.987918 (E_RNA)
where:
Base-Base interactions energy: -79.899
where: short stacking energy: -53.042
Base-Backbone interact. energy: -0.232
local terms energy: -75.857194
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -115.633924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.633924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.633924 (E_RNA)
where:
Base-Base interactions energy: -45.902
where: short stacking energy: -40.334
Base-Backbone interact. energy: -0.161
local terms energy: -69.571114
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -108.605340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.605340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.605340 (E_RNA)
where:
Base-Base interactions energy: -42.526
where: short stacking energy: -28.633
Base-Backbone interact. energy: 1.497
local terms energy: -67.575709
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -21.962
flat angles P-C4'-P energy: -13.419
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: 2
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -113.033296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.033296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.033296 (E_RNA)
where:
Base-Base interactions energy: -37.340
where: short stacking energy: -31.838
Base-Backbone interact. energy: -0.186
local terms energy: -75.507503
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -20.411
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -312.205396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.205396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.205396 (E_RNA)
where:
Base-Base interactions energy: -208.128
where: short stacking energy: -102.201
Base-Backbone interact. energy: -0.598
local terms energy: -103.479495
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -11.450
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: 2, replica: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -299.709291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.709291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.709291 (E_RNA)
where:
Base-Base interactions energy: -206.049
where: short stacking energy: -99.400
Base-Backbone interact. energy: -0.376
local terms energy: -93.284701
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -25.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -276.326215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.326215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.326215 (E_RNA)
where:
Base-Base interactions energy: -179.474
where: short stacking energy: -86.204
Base-Backbone interact. energy: -0.356
local terms energy: -96.496190
where:
bonds (distance) C4'-P energy: -24.309
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -18.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -236.692142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.692142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.692142 (E_RNA)
where:
Base-Base interactions energy: -146.540
where: short stacking energy: -75.994
Base-Backbone interact. energy: -3.742
local terms energy: -86.409831
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -145.953288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.953288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.953288 (E_RNA)
where:
Base-Base interactions energy: -77.637
where: short stacking energy: -49.689
Base-Backbone interact. energy: -0.545
local terms energy: -67.772077
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -2.135
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: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -218.092313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.092313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.092313 (E_RNA)
where:
Base-Base interactions energy: -141.565
where: short stacking energy: -59.566
Base-Backbone interact. energy: 5.696
local terms energy: -82.223441
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -15.315
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: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -156.740181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.740181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.740181 (E_RNA)
where:
Base-Base interactions energy: -79.987
where: short stacking energy: -55.292
Base-Backbone interact. energy: -0.661
local terms energy: -76.092196
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -13.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -124.994981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.994981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.994981 (E_RNA)
where:
Base-Base interactions energy: -50.361
where: short stacking energy: -47.391
Base-Backbone interact. energy: 0.152
local terms energy: -74.785512
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -104.173751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.173751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.173751 (E_RNA)
where:
Base-Base interactions energy: -38.515
where: short stacking energy: -29.433
Base-Backbone interact. energy: 1.397
local terms energy: -67.054827
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -2.476
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: 2
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -103.172826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.172826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.172826 (E_RNA)
where:
Base-Base interactions energy: -45.606
where: short stacking energy: -34.902
Base-Backbone interact. energy: 2.729
local terms energy: -60.295215
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -21.388
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -8.506
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: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -322.270168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.270168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.270168 (E_RNA)
where:
Base-Base interactions energy: -223.253
where: short stacking energy: -91.418
Base-Backbone interact. energy: -0.311
local terms energy: -98.706393
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -19.920
flat angles C4'-P-C4' energy: -22.686
flat angles P-C4'-P energy: -14.987
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: 2, replica: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -313.110444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.110444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.110444 (E_RNA)
where:
Base-Base interactions energy: -206.525
where: short stacking energy: -106.850
Base-Backbone interact. energy: -0.088
local terms energy: -106.497692
where:
bonds (distance) C4'-P energy: -22.271
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -29.449
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: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -288.099971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.099971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.099971 (E_RNA)
where:
Base-Base interactions energy: -193.951
where: short stacking energy: -81.515
Base-Backbone interact. energy: -0.448
local terms energy: -93.700565
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -23.771
flat angles C4'-P-C4' energy: -19.951
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -24.780
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: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -247.287564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.287564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.287564 (E_RNA)
where:
Base-Base interactions energy: -156.257
where: short stacking energy: -71.889
Base-Backbone interact. energy: -1.505
local terms energy: -89.525207
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -211.588469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.588469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.588469 (E_RNA)
where:
Base-Base interactions energy: -133.642
where: short stacking energy: -60.596
Base-Backbone interact. energy: -0.230
local terms energy: -77.716808
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -21.191
flat angles P-C4'-P energy: -14.179
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: 6, replica: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -198.425080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.425080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.425080 (E_RNA)
where:
Base-Base interactions energy: -117.567
where: short stacking energy: -59.146
Base-Backbone interact. energy: -0.501
local terms energy: -80.357486
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -122.954414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.954414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.954414 (E_RNA)
where:
Base-Base interactions energy: -54.181
where: short stacking energy: -33.392
Base-Backbone interact. energy: 0.308
local terms energy: -69.080782
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -135.349467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.349467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.349467 (E_RNA)
where:
Base-Base interactions energy: -73.638
where: short stacking energy: -38.112
Base-Backbone interact. energy: 1.021
local terms energy: -62.732402
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -2.835
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: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -111.597972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.597972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.597972 (E_RNA)
where:
Base-Base interactions energy: -40.464
where: short stacking energy: -35.700
Base-Backbone interact. energy: -0.497
local terms energy: -70.636162
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -10.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -108.925261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.925261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.925261 (E_RNA)
where:
Base-Base interactions energy: -37.676
where: short stacking energy: -35.985
Base-Backbone interact. energy: -0.220
local terms energy: -71.029832
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -327.365142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.365142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.365142 (E_RNA)
where:
Base-Base interactions energy: -219.805
where: short stacking energy: -93.025
Base-Backbone interact. energy: -0.156
local terms energy: -107.403602
where:
bonds (distance) C4'-P energy: -22.884
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -16.662
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: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -308.532396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.532396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.532396 (E_RNA)
where:
Base-Base interactions energy: -201.746
where: short stacking energy: -102.404
Base-Backbone interact. energy: -0.358
local terms energy: -106.429203
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -20.972
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -26.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -283.833365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.833365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.833365 (E_RNA)
where:
Base-Base interactions energy: -185.298
where: short stacking energy: -87.872
Base-Backbone interact. energy: -0.772
local terms energy: -97.763025
where:
bonds (distance) C4'-P energy: -21.412
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -20.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -239.454091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.454091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.454091 (E_RNA)
where:
Base-Base interactions energy: -151.631
where: short stacking energy: -76.286
Base-Backbone interact. energy: 1.483
local terms energy: -89.306343
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -16.093
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -220.800138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.800138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.800138 (E_RNA)
where:
Base-Base interactions energy: -141.446
where: short stacking energy: -60.982
Base-Backbone interact. energy: -1.205
local terms energy: -78.149235
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -19.793
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -10.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -203.835929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.835929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.835929 (E_RNA)
where:
Base-Base interactions energy: -117.891
where: short stacking energy: -60.696
Base-Backbone interact. energy: -0.128
local terms energy: -85.816456
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -18.405
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -10.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -133.643689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.643689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.643689 (E_RNA)
where:
Base-Base interactions energy: -64.042
where: short stacking energy: -53.962
Base-Backbone interact. energy: -0.452
local terms energy: -69.149667
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -116.384540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.384540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.384540 (E_RNA)
where:
Base-Base interactions energy: -39.962
where: short stacking energy: -39.628
Base-Backbone interact. energy: -0.066
local terms energy: -76.356393
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -23.962
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -107.145736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.145736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.145736 (E_RNA)
where:
Base-Base interactions energy: -44.029
where: short stacking energy: -36.624
Base-Backbone interact. energy: -0.150
local terms energy: -62.966954
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -6.837
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: 2
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -115.078453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.078453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.078453 (E_RNA)
where:
Base-Base interactions energy: -44.803
where: short stacking energy: -44.803
Base-Backbone interact. energy: 0.257
local terms energy: -70.531771
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -9.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -323.956055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.956055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.956055 (E_RNA)
where:
Base-Base interactions energy: -213.603
where: short stacking energy: -100.745
Base-Backbone interact. energy: -0.190
local terms energy: -110.163531
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -18.887
tors. eta vs tors. theta energy: -26.758
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: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -291.324584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.324584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.324584 (E_RNA)
where:
Base-Base interactions energy: -191.721
where: short stacking energy: -106.038
Base-Backbone interact. energy: -0.447
local terms energy: -99.156861
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: -25.411
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: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -276.898394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.898394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.898394 (E_RNA)
where:
Base-Base interactions energy: -180.173
where: short stacking energy: -92.565
Base-Backbone interact. energy: -1.462
local terms energy: -95.262772
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -25.995
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: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -252.859661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.859661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.859661 (E_RNA)
where:
Base-Base interactions energy: -161.889
where: short stacking energy: -84.099
Base-Backbone interact. energy: -0.794
local terms energy: -90.176973
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -21.585
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -18.711
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: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -205.711548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.711548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.711548 (E_RNA)
where:
Base-Base interactions energy: -130.590
where: short stacking energy: -63.599
Base-Backbone interact. energy: -0.607
local terms energy: -74.514842
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -4.096
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: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -203.105474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.105474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.105474 (E_RNA)
where:
Base-Base interactions energy: -122.493
where: short stacking energy: -58.200
Base-Backbone interact. energy: -0.614
local terms energy: -79.997711
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -22.685
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -9.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -120.741251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.741251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.741251 (E_RNA)
where:
Base-Base interactions energy: -50.811
where: short stacking energy: -43.732
Base-Backbone interact. energy: -0.245
local terms energy: -69.685143
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -21.903
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -6.474
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: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -138.357151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.357151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.357151 (E_RNA)
where:
Base-Base interactions energy: -68.283
where: short stacking energy: -42.022
Base-Backbone interact. energy: -1.127
local terms energy: -68.947582
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -111.127988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.127988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.127988 (E_RNA)
where:
Base-Base interactions energy: -41.534
where: short stacking energy: -32.830
Base-Backbone interact. energy: -0.302
local terms energy: -69.292000
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -107.124530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.124530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.124530 (E_RNA)
where:
Base-Base interactions energy: -36.326
where: short stacking energy: -26.362
Base-Backbone interact. energy: -0.290
local terms energy: -70.508702
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -333.203075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.203075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.203075 (E_RNA)
where:
Base-Base interactions energy: -225.121
where: short stacking energy: -100.850
Base-Backbone interact. energy: -0.139
local terms energy: -107.942615
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -22.924
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -29.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -305.496484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.496484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.496484 (E_RNA)
where:
Base-Base interactions energy: -202.500
where: short stacking energy: -94.252
Base-Backbone interact. energy: -0.001
local terms energy: -102.995416
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -29.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -286.240668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.240668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.240668 (E_RNA)
where:
Base-Base interactions energy: -196.127
where: short stacking energy: -90.410
Base-Backbone interact. energy: -0.095
local terms energy: -90.018083
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -27.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -228.967952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.967952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.967952 (E_RNA)
where:
Base-Base interactions energy: -142.091
where: short stacking energy: -66.443
Base-Backbone interact. energy: -0.394
local terms energy: -86.482927
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: -12.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -210.939921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.939921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.939921 (E_RNA)
where:
Base-Base interactions energy: -130.286
where: short stacking energy: -71.693
Base-Backbone interact. energy: -1.029
local terms energy: -79.625083
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -23.406
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -163.938106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.938106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.938106 (E_RNA)
where:
Base-Base interactions energy: -91.114
where: short stacking energy: -47.221
Base-Backbone interact. energy: -0.696
local terms energy: -72.127605
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -15.243
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)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -143.120962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.120962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.120962 (E_RNA)
where:
Base-Base interactions energy: -74.511
where: short stacking energy: -40.139
Base-Backbone interact. energy: -0.480
local terms energy: -68.130526
where:
bonds (distance) C4'-P energy: -9.786
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -0.141
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: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -140.335868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.335868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.335868 (E_RNA)
where:
Base-Base interactions energy: -74.779
where: short stacking energy: -48.875
Base-Backbone interact. energy: -0.561
local terms energy: -64.995822
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -116.594007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.594007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.594007 (E_RNA)
where:
Base-Base interactions energy: -53.400
where: short stacking energy: -41.718
Base-Backbone interact. energy: -0.320
local terms energy: -62.874460
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -116.885406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.885406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.885406 (E_RNA)
where:
Base-Base interactions energy: -55.019
where: short stacking energy: -33.581
Base-Backbone interact. energy: -0.307
local terms energy: -61.559422
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -2.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -299.598212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.598212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.598212 (E_RNA)
where:
Base-Base interactions energy: -197.813
where: short stacking energy: -94.688
Base-Backbone interact. energy: -0.003
local terms energy: -101.782310
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -24.483
flat angles C4'-P-C4' energy: -23.276
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -25.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -324.106004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.106004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.106004 (E_RNA)
where:
Base-Base interactions energy: -223.160
where: short stacking energy: -89.701
Base-Backbone interact. energy: 0.202
local terms energy: -101.147552
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -16.493
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: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -251.175399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.175399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.175399 (E_RNA)
where:
Base-Base interactions energy: -156.544
where: short stacking energy: -80.288
Base-Backbone interact. energy: -0.037
local terms energy: -94.594699
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -21.338
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -12.939
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: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -289.996744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.996744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.996744 (E_RNA)
where:
Base-Base interactions energy: -190.133
where: short stacking energy: -97.204
Base-Backbone interact. energy: -1.460
local terms energy: -98.403145
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -29.400
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: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -185.028410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.028410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.028410 (E_RNA)
where:
Base-Base interactions energy: -97.492
where: short stacking energy: -68.236
Base-Backbone interact. energy: -1.603
local terms energy: -85.933671
where:
bonds (distance) C4'-P energy: -19.067
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -16.714
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: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -188.498964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.498964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.498964 (E_RNA)
where:
Base-Base interactions energy: -103.540
where: short stacking energy: -50.548
Base-Backbone interact. energy: -1.050
local terms energy: -83.909312
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -12.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -119.682973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.682973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.682973 (E_RNA)
where:
Base-Base interactions energy: -40.461
where: short stacking energy: -30.061
Base-Backbone interact. energy: -0.561
local terms energy: -78.660552
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -23.188
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -138.221093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.221093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.221093 (E_RNA)
where:
Base-Base interactions energy: -62.394
where: short stacking energy: -47.072
Base-Backbone interact. energy: -0.350
local terms energy: -75.476830
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -17.050
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: 9, replica: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -112.142291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.142291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.142291 (E_RNA)
where:
Base-Base interactions energy: -39.248
where: short stacking energy: -37.069
Base-Backbone interact. energy: -0.154
local terms energy: -72.740265
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -108.251445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.251445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.251445 (E_RNA)
where:
Base-Base interactions energy: -37.633
where: short stacking energy: -34.647
Base-Backbone interact. energy: -0.235
local terms energy: -70.383583
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -10.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -305.688313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.688313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.688313 (E_RNA)
where:
Base-Base interactions energy: -190.859
where: short stacking energy: -93.800
Base-Backbone interact. energy: -0.812
local terms energy: -114.016992
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -25.166
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -26.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -316.441143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.441143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.441143 (E_RNA)
where:
Base-Base interactions energy: -219.496
where: short stacking energy: -91.846
Base-Backbone interact. energy: -0.017
local terms energy: -96.927894
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -24.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -254.452277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.452277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.452277 (E_RNA)
where:
Base-Base interactions energy: -163.513
where: short stacking energy: -77.157
Base-Backbone interact. energy: -0.948
local terms energy: -89.990410
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -15.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -263.550941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.550941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.550941 (E_RNA)
where:
Base-Base interactions energy: -174.299
where: short stacking energy: -79.160
Base-Backbone interact. energy: -0.210
local terms energy: -89.042266
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -20.070
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -20.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -171.492048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.492048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.492048 (E_RNA)
where:
Base-Base interactions energy: -85.550
where: short stacking energy: -55.469
Base-Backbone interact. energy: -1.098
local terms energy: -84.843579
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -19.007
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -13.855
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: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -187.812498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.812498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.812498 (E_RNA)
where:
Base-Base interactions energy: -98.997
where: short stacking energy: -60.561
Base-Backbone interact. energy: -0.928
local terms energy: -87.887494
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -20.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -131.074795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.074795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.074795 (E_RNA)
where:
Base-Base interactions energy: -54.782
where: short stacking energy: -43.141
Base-Backbone interact. energy: -1.228
local terms energy: -75.065303
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -6.909
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: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -151.313601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.313601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.313601 (E_RNA)
where:
Base-Base interactions energy: -84.591
where: short stacking energy: -46.189
Base-Backbone interact. energy: -1.229
local terms energy: -65.493311
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -12.941
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: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -111.527988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.527988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.527988 (E_RNA)
where:
Base-Base interactions energy: -42.932
where: short stacking energy: -41.702
Base-Backbone interact. energy: -0.239
local terms energy: -68.357374
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -9.287
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)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -102.080512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.080512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.080512 (E_RNA)
where:
Base-Base interactions energy: -44.054
where: short stacking energy: -34.416
Base-Backbone interact. energy: -0.308
local terms energy: -57.718782
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: 0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -335.314540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.314540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.314540 (E_RNA)
where:
Base-Base interactions energy: -223.704
where: short stacking energy: -103.308
Base-Backbone interact. energy: -1.062
local terms energy: -110.548373
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -25.577
flat angles C4'-P-C4' energy: -20.827
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -27.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -285.957995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.957995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.957995 (E_RNA)
where:
Base-Base interactions energy: -191.731
where: short stacking energy: -92.932
Base-Backbone interact. energy: -0.604
local terms energy: -93.623041
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -22.153
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -21.525
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: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -284.519442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.519442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.519442 (E_RNA)
where:
Base-Base interactions energy: -189.129
where: short stacking energy: -89.616
Base-Backbone interact. energy: -0.055
local terms energy: -95.335823
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -26.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -234.091134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.091134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.091134 (E_RNA)
where:
Base-Base interactions energy: -142.461
where: short stacking energy: -76.611
Base-Backbone interact. energy: -0.683
local terms energy: -90.946724
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -23.580
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -208.504107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.504107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.504107 (E_RNA)
where:
Base-Base interactions energy: -114.854
where: short stacking energy: -73.502
Base-Backbone interact. energy: -0.894
local terms energy: -92.755864
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -22.516
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -18.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -162.284808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.284808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.284808 (E_RNA)
where:
Base-Base interactions energy: -89.908
where: short stacking energy: -48.723
Base-Backbone interact. energy: -0.206
local terms energy: -72.170755
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -142.082711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.082711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.082711 (E_RNA)
where:
Base-Base interactions energy: -65.408
where: short stacking energy: -48.689
Base-Backbone interact. energy: 0.363
local terms energy: -77.037959
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -8.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -121.584093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.584093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.584093 (E_RNA)
where:
Base-Base interactions energy: -52.135
where: short stacking energy: -44.338
Base-Backbone interact. energy: -0.310
local terms energy: -69.139699
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -7.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -133.674748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.674748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.674748 (E_RNA)
where:
Base-Base interactions energy: -68.188
where: short stacking energy: -31.578
Base-Backbone interact. energy: -0.742
local terms energy: -64.745548
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -22.983
flat angles P-C4'-P energy: -6.301
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)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -105.855148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.855148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.855148 (E_RNA)
where:
Base-Base interactions energy: -28.883
where: short stacking energy: -28.631
Base-Backbone interact. energy: -0.663
local terms energy: -76.309069
where:
bonds (distance) C4'-P energy: -20.170
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -327.354543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.354543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.354543 (E_RNA)
where:
Base-Base interactions energy: -220.026
where: short stacking energy: -95.912
Base-Backbone interact. energy: -0.324
local terms energy: -107.004414
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -25.042
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -27.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -294.403897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.403897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.403897 (E_RNA)
where:
Base-Base interactions energy: -184.949
where: short stacking energy: -80.227
Base-Backbone interact. energy: -0.019
local terms energy: -109.435481
where:
bonds (distance) C4'-P energy: -19.989
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -25.578
flat angles P-C4'-P energy: -17.162
tors. eta vs tors. theta energy: -23.629
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: 8
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -279.261067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.261067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.261067 (E_RNA)
where:
Base-Base interactions energy: -181.886
where: short stacking energy: -85.207
Base-Backbone interact. energy: -0.150
local terms energy: -97.224528
where:
bonds (distance) C4'-P energy: -20.685
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -10.868
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: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -229.529109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.529109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.529109 (E_RNA)
where:
Base-Base interactions energy: -139.150
where: short stacking energy: -69.181
Base-Backbone interact. energy: -0.826
local terms energy: -89.552953
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -14.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -198.227775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.227775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.227775 (E_RNA)
where:
Base-Base interactions energy: -113.824
where: short stacking energy: -68.380
Base-Backbone interact. energy: 0.243
local terms energy: -84.647004
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -18.519
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: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -171.107620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.107620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.107620 (E_RNA)
where:
Base-Base interactions energy: -87.811
where: short stacking energy: -54.084
Base-Backbone interact. energy: -1.448
local terms energy: -81.849169
where:
bonds (distance) C4'-P energy: -23.127
bonds (distance) P-C4' energy: -20.635
flat angles C4'-P-C4' energy: -19.291
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -9.361
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: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -142.742122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.742122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.742122 (E_RNA)
where:
Base-Base interactions energy: -69.450
where: short stacking energy: -38.582
Base-Backbone interact. energy: -0.093
local terms energy: -73.198873
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -8.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -117.331613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.331613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.331613 (E_RNA)
where:
Base-Base interactions energy: -57.960
where: short stacking energy: -45.598
Base-Backbone interact. energy: -2.112
local terms energy: -57.259563
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -139.652435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.652435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.652435 (E_RNA)
where:
Base-Base interactions energy: -71.844
where: short stacking energy: -46.242
Base-Backbone interact. energy: -0.036
local terms energy: -67.772426
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -14.901
tors. eta vs tors. theta energy: -7.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -102.823053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.823053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.823053 (E_RNA)
where:
Base-Base interactions energy: -42.585
where: short stacking energy: -30.541
Base-Backbone interact. energy: -0.598
local terms energy: -59.639744
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: 3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -320.853472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.853472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.853472 (E_RNA)
where:
Base-Base interactions energy: -218.955
where: short stacking energy: -96.005
Base-Backbone interact. energy: -0.381
local terms energy: -101.517905
where:
bonds (distance) C4'-P energy: -24.148
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -23.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -297.274737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.274737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.274737 (E_RNA)
where:
Base-Base interactions energy: -194.522
where: short stacking energy: -100.268
Base-Backbone interact. energy: -0.223
local terms energy: -102.529830
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -21.566
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -26.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -267.849596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.849596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.849596 (E_RNA)
where:
Base-Base interactions energy: -181.470
where: short stacking energy: -84.359
Base-Backbone interact. energy: -0.040
local terms energy: -86.339607
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -9.501
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: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -243.993186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.993186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.993186 (E_RNA)
where:
Base-Base interactions energy: -151.263
where: short stacking energy: -78.078
Base-Backbone interact. energy: -0.867
local terms energy: -91.864044
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -18.018
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: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -195.923394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.923394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.923394 (E_RNA)
where:
Base-Base interactions energy: -111.186
where: short stacking energy: -54.715
Base-Backbone interact. energy: -0.068
local terms energy: -84.668951
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -21.066
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -189.747191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.747191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.747191 (E_RNA)
where:
Base-Base interactions energy: -111.540
where: short stacking energy: -49.909
Base-Backbone interact. energy: -1.561
local terms energy: -76.646656
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -21.425
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -8.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -132.919860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.919860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.919860 (E_RNA)
where:
Base-Base interactions energy: -65.904
where: short stacking energy: -31.630
Base-Backbone interact. energy: 1.103
local terms energy: -68.118995
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -8.811
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: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -124.923742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.923742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.923742 (E_RNA)
where:
Base-Base interactions energy: -59.490
where: short stacking energy: -31.856
Base-Backbone interact. energy: -1.339
local terms energy: -64.094842
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -8.548
flat angles P-C4'-P energy: -15.446
tors. eta vs tors. theta energy: -0.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -140.090682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.090682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.090682 (E_RNA)
where:
Base-Base interactions energy: -70.591
where: short stacking energy: -37.561
Base-Backbone interact. energy: -0.226
local terms energy: -69.273259
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -23.342
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -12.689
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: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -90.368987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.368987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.368987 (E_RNA)
where:
Base-Base interactions energy: -32.325
where: short stacking energy: -29.869
Base-Backbone interact. energy: -0.054
local terms energy: -57.990379
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: 2.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -335.672746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.672746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.672746 (E_RNA)
where:
Base-Base interactions energy: -233.190
where: short stacking energy: -100.025
Base-Backbone interact. energy: -0.263
local terms energy: -102.219420
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -22.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -301.334758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.334758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.334758 (E_RNA)
where:
Base-Base interactions energy: -192.251
where: short stacking energy: -99.111
Base-Backbone interact. energy: -0.054
local terms energy: -109.029478
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -21.215
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -26.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -287.317973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.317973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.317973 (E_RNA)
where:
Base-Base interactions energy: -179.167
where: short stacking energy: -88.928
Base-Backbone interact. energy: -1.234
local terms energy: -106.916833
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -24.529
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -14.711
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: 4, replica: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -254.265323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.265323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.265323 (E_RNA)
where:
Base-Base interactions energy: -154.478
where: short stacking energy: -82.243
Base-Backbone interact. energy: -0.317
local terms energy: -99.470439
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -21.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -207.178063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.178063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.178063 (E_RNA)
where:
Base-Base interactions energy: -123.240
where: short stacking energy: -59.464
Base-Backbone interact. energy: -0.753
local terms energy: -83.185074
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -11.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -214.574904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.574904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.574904 (E_RNA)
where:
Base-Base interactions energy: -126.561
where: short stacking energy: -77.294
Base-Backbone interact. energy: -0.778
local terms energy: -87.235871
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -113.220222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.220222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.220222 (E_RNA)
where:
Base-Base interactions energy: -51.372
where: short stacking energy: -33.579
Base-Backbone interact. energy: 6.319
local terms energy: -68.166760
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -111.382646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.382646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.382646 (E_RNA)
where:
Base-Base interactions energy: -38.581
where: short stacking energy: -34.177
Base-Backbone interact. energy: -0.071
local terms energy: -72.731151
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -2.753
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: 2
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -131.152557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.152557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.152557 (E_RNA)
where:
Base-Base interactions energy: -55.316
where: short stacking energy: -43.770
Base-Backbone interact. energy: -0.525
local terms energy: -75.311420
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -14.795
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: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -103.012836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.012836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.012836 (E_RNA)
where:
Base-Base interactions energy: -27.792
where: short stacking energy: -26.048
Base-Backbone interact. energy: -0.207
local terms energy: -75.013713
where:
bonds (distance) C4'-P energy: -24.429
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -322.339001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.339001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.339001 (E_RNA)
where:
Base-Base interactions energy: -224.149
where: short stacking energy: -92.998
Base-Backbone interact. energy: 0.265
local terms energy: -98.454247
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -24.808
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -303.687916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.687916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.687916 (E_RNA)
where:
Base-Base interactions energy: -189.740
where: short stacking energy: -103.082
Base-Backbone interact. energy: -0.008
local terms energy: -113.940057
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -23.585
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -30.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -287.054732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.054732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.054732 (E_RNA)
where:
Base-Base interactions energy: -179.069
where: short stacking energy: -89.655
Base-Backbone interact. energy: -0.669
local terms energy: -107.317082
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -22.103
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -30.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -241.905338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.905338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.905338 (E_RNA)
where:
Base-Base interactions energy: -161.088
where: short stacking energy: -71.966
Base-Backbone interact. energy: -0.107
local terms energy: -80.710206
where:
bonds (distance) C4'-P energy: -21.191
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -203.880423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.880423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.880423 (E_RNA)
where:
Base-Base interactions energy: -114.871
where: short stacking energy: -63.082
Base-Backbone interact. energy: -0.190
local terms energy: -88.819665
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -23.673
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -12.894
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: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -195.914651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.914651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.914651 (E_RNA)
where:
Base-Base interactions energy: -106.469
where: short stacking energy: -60.779
Base-Backbone interact. energy: -0.918
local terms energy: -88.528031
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -21.840
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -18.045
tors. eta vs tors. theta energy: -7.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -120.319662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.319662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.319662 (E_RNA)
where:
Base-Base interactions energy: -57.199
where: short stacking energy: -47.970
Base-Backbone interact. energy: -0.715
local terms energy: -62.405738
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -19.140
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -116.458895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.458895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.458895 (E_RNA)
where:
Base-Base interactions energy: -49.646
where: short stacking energy: -43.149
Base-Backbone interact. energy: 0.710
local terms energy: -67.523565
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -133.019988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.019988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.019988 (E_RNA)
where:
Base-Base interactions energy: -68.184
where: short stacking energy: -39.456
Base-Backbone interact. energy: -0.118
local terms energy: -64.717915
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -19.183
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -118.255051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.255051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.255051 (E_RNA)
where:
Base-Base interactions energy: -51.303
where: short stacking energy: -32.471
Base-Backbone interact. energy: -0.868
local terms energy: -66.084467
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -20.217
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -7.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -330.604787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.604787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.604787 (E_RNA)
where:
Base-Base interactions energy: -220.603
where: short stacking energy: -94.519
Base-Backbone interact. energy: -0.552
local terms energy: -109.450634
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -25.562
flat angles C4'-P-C4' energy: -19.863
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -24.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -296.810986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.810986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.810986 (E_RNA)
where:
Base-Base interactions energy: -184.084
where: short stacking energy: -97.723
Base-Backbone interact. energy: -0.630
local terms energy: -112.096919
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -23.279
flat angles P-C4'-P energy: -17.180
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: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -274.743943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.743943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.743943 (E_RNA)
where:
Base-Base interactions energy: -174.840
where: short stacking energy: -88.641
Base-Backbone interact. energy: -0.728
local terms energy: -99.175560
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -23.080
flat angles P-C4'-P energy: -15.231
tors. eta vs tors. theta energy: -24.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -256.684502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.684502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.684502 (E_RNA)
where:
Base-Base interactions energy: -161.738
where: short stacking energy: -85.882
Base-Backbone interact. energy: -0.193
local terms energy: -94.753370
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -211.978918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.978918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.978918 (E_RNA)
where:
Base-Base interactions energy: -130.965
where: short stacking energy: -79.061
Base-Backbone interact. energy: -1.365
local terms energy: -79.648695
where:
bonds (distance) C4'-P energy: -19.025
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -14.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -199.891854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.891854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.891854 (E_RNA)
where:
Base-Base interactions energy: -106.625
where: short stacking energy: -60.387
Base-Backbone interact. energy: -0.179
local terms energy: -93.088025
where:
bonds (distance) C4'-P energy: -22.571
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -17.749
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: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -147.387457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.387457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.387457 (E_RNA)
where:
Base-Base interactions energy: -74.552
where: short stacking energy: -49.915
Base-Backbone interact. energy: -0.132
local terms energy: -72.704019
where:
bonds (distance) C4'-P energy: -19.281
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -4.716
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: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -178.056567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.056567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.056567 (E_RNA)
where:
Base-Base interactions energy: -93.842
where: short stacking energy: -60.461
Base-Backbone interact. energy: -0.157
local terms energy: -84.057548
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -21.375
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -11.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -160.591508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.591508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.591508 (E_RNA)
where:
Base-Base interactions energy: -81.637
where: short stacking energy: -45.585
Base-Backbone interact. energy: -0.291
local terms energy: -78.662588
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -8.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -97.236146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.236146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.236146 (E_RNA)
where:
Base-Base interactions energy: -24.223
where: short stacking energy: -20.883
Base-Backbone interact. energy: 0.082
local terms energy: -73.094599
where:
bonds (distance) C4'-P energy: -21.706
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: 0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -326.193778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.193778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.193778 (E_RNA)
where:
Base-Base interactions energy: -214.115
where: short stacking energy: -97.788
Base-Backbone interact. energy: -0.266
local terms energy: -111.812808
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -27.484
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: 2, replica: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -297.781318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.781318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.781318 (E_RNA)
where:
Base-Base interactions energy: -192.417
where: short stacking energy: -98.382
Base-Backbone interact. energy: 0.010
local terms energy: -105.374466
where:
bonds (distance) C4'-P energy: -19.908
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -24.326
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -30.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -283.155257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.155257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.155257 (E_RNA)
where:
Base-Base interactions energy: -174.553
where: short stacking energy: -95.546
Base-Backbone interact. energy: -0.002
local terms energy: -108.600183
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -23.445
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -26.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -241.690668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.690668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.690668 (E_RNA)
where:
Base-Base interactions energy: -156.378
where: short stacking energy: -86.312
Base-Backbone interact. energy: -0.046
local terms energy: -85.266653
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -19.303
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: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -225.557109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.557109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.557109 (E_RNA)
where:
Base-Base interactions energy: -135.610
where: short stacking energy: -83.484
Base-Backbone interact. energy: -0.138
local terms energy: -89.808788
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -208.582806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.582806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.582806 (E_RNA)
where:
Base-Base interactions energy: -123.866
where: short stacking energy: -60.579
Base-Backbone interact. energy: -0.167
local terms energy: -84.549796
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -15.238
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: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -168.140550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.140550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.140550 (E_RNA)
where:
Base-Base interactions energy: -87.748
where: short stacking energy: -53.865
Base-Backbone interact. energy: -1.252
local terms energy: -79.140586
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -13.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -156.396625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.396625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.396625 (E_RNA)
where:
Base-Base interactions energy: -79.301
where: short stacking energy: -49.331
Base-Backbone interact. energy: -0.136
local terms energy: -76.960401
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -10.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -152.625262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.625262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.625262 (E_RNA)
where:
Base-Base interactions energy: -84.575
where: short stacking energy: -38.486
Base-Backbone interact. energy: -0.194
local terms energy: -67.856025
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -15.257
tors. eta vs tors. theta energy: -0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -100.941967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.941967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.941967 (E_RNA)
where:
Base-Base interactions energy: -33.413
where: short stacking energy: -28.191
Base-Backbone interact. energy: 0.230
local terms energy: -67.759481
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -9.611
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: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -316.585794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.585794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.585794 (E_RNA)
where:
Base-Base interactions energy: -212.263
where: short stacking energy: -89.089
Base-Backbone interact. energy: -0.301
local terms energy: -104.021180
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -24.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -291.959759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.959759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.959759 (E_RNA)
where:
Base-Base interactions energy: -196.194
where: short stacking energy: -96.268
Base-Backbone interact. energy: -0.053
local terms energy: -95.712691
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -25.013
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: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -288.926022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.926022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.926022 (E_RNA)
where:
Base-Base interactions energy: -179.622
where: short stacking energy: -92.293
Base-Backbone interact. energy: -0.097
local terms energy: -109.207023
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -18.900
tors. eta vs tors. theta energy: -32.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -242.633439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.633439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.633439 (E_RNA)
where:
Base-Base interactions energy: -157.729
where: short stacking energy: -76.400
Base-Backbone interact. energy: -0.039
local terms energy: -84.865193
where:
bonds (distance) C4'-P energy: -21.852
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -18.848
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: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -213.280314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.280314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.280314 (E_RNA)
where:
Base-Base interactions energy: -123.954
where: short stacking energy: -69.252
Base-Backbone interact. energy: 0.863
local terms energy: -90.189102
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -176.742093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.742093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.742093 (E_RNA)
where:
Base-Base interactions energy: -100.784
where: short stacking energy: -61.338
Base-Backbone interact. energy: 0.673
local terms energy: -76.631619
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -8.769
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: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -172.984818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.984818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.984818 (E_RNA)
where:
Base-Base interactions energy: -90.014
where: short stacking energy: -48.447
Base-Backbone interact. energy: -0.411
local terms energy: -82.560382
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -21.046
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -9.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -148.329980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.329980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.329980 (E_RNA)
where:
Base-Base interactions energy: -75.338
where: short stacking energy: -45.477
Base-Backbone interact. energy: 0.118
local terms energy: -73.110076
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -8.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -114.647023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.647023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.647023 (E_RNA)
where:
Base-Base interactions energy: -37.723
where: short stacking energy: -22.949
Base-Backbone interact. energy: -0.376
local terms energy: -76.548208
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -3.366
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: 2
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -111.325466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.325466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.325466 (E_RNA)
where:
Base-Base interactions energy: -35.198
where: short stacking energy: -32.741
Base-Backbone interact. energy: -1.422
local terms energy: -74.704792
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -20.689
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: 1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -303.502986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.502986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.502986 (E_RNA)
where:
Base-Base interactions energy: -201.124
where: short stacking energy: -91.085
Base-Backbone interact. energy: -0.473
local terms energy: -101.906035
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -20.208
flat angles C4'-P-C4' energy: -24.735
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -26.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -318.556514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.556514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.556514 (E_RNA)
where:
Base-Base interactions energy: -205.843
where: short stacking energy: -88.584
Base-Backbone interact. energy: -1.456
local terms energy: -111.257948
where:
bonds (distance) C4'-P energy: -22.478
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -21.570
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -28.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -270.270428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.270428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.270428 (E_RNA)
where:
Base-Base interactions energy: -172.584
where: short stacking energy: -94.008
Base-Backbone interact. energy: -1.675
local terms energy: -96.011395
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -23.321
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -26.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -277.063249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.063249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.063249 (E_RNA)
where:
Base-Base interactions energy: -180.143
where: short stacking energy: -78.080
Base-Backbone interact. energy: -0.259
local terms energy: -96.660814
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -12.856
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: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -207.864893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.864893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.864893 (E_RNA)
where:
Base-Base interactions energy: -119.417
where: short stacking energy: -73.030
Base-Backbone interact. energy: -0.208
local terms energy: -88.240165
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -13.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -180.958000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.958000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.958000 (E_RNA)
where:
Base-Base interactions energy: -105.595
where: short stacking energy: -62.650
Base-Backbone interact. energy: -0.594
local terms energy: -74.769134
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -16.265
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: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -169.413528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.413528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.413528 (E_RNA)
where:
Base-Base interactions energy: -83.128
where: short stacking energy: -59.731
Base-Backbone interact. energy: -0.117
local terms energy: -86.168125
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -148.611840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.611840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.611840 (E_RNA)
where:
Base-Base interactions energy: -74.305
where: short stacking energy: -50.396
Base-Backbone interact. energy: -0.168
local terms energy: -74.138330
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -16.922
tors. eta vs tors. theta energy: -10.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -111.234466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.234466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.234466 (E_RNA)
where:
Base-Base interactions energy: -54.705
where: short stacking energy: -36.322
Base-Backbone interact. energy: -0.110
local terms energy: -56.420300
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -10.200
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: 10, replica: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -100.681676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.681676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.681676 (E_RNA)
where:
Base-Base interactions energy: -33.073
where: short stacking energy: -33.311
Base-Backbone interact. energy: 0.030
local terms energy: -67.639440
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: 4.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -299.663637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.663637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.663637 (E_RNA)
where:
Base-Base interactions energy: -199.535
where: short stacking energy: -101.861
Base-Backbone interact. energy: -0.122
local terms energy: -100.006484
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -26.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -315.197741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.197741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.197741 (E_RNA)
where:
Base-Base interactions energy: -205.563
where: short stacking energy: -90.709
Base-Backbone interact. energy: -0.178
local terms energy: -109.456394
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -21.036
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -25.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -263.062013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.062013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.062013 (E_RNA)
where:
Base-Base interactions energy: -162.593
where: short stacking energy: -87.061
Base-Backbone interact. energy: -0.032
local terms energy: -100.437907
where:
bonds (distance) C4'-P energy: -21.252
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -20.279
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: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -284.057295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.057295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.057295 (E_RNA)
where:
Base-Base interactions energy: -174.633
where: short stacking energy: -74.829
Base-Backbone interact. energy: -0.022
local terms energy: -109.401482
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -28.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -204.387156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.387156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.387156 (E_RNA)
where:
Base-Base interactions energy: -121.986
where: short stacking energy: -59.252
Base-Backbone interact. energy: -1.365
local terms energy: -81.035691
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -19.867
flat angles C4'-P-C4' energy: -20.385
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -8.438
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: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -169.133747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.133747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.133747 (E_RNA)
where:
Base-Base interactions energy: -84.611
where: short stacking energy: -42.385
Base-Backbone interact. energy: -1.265
local terms energy: -83.257759
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -16.807
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: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -175.161570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.161570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.161570 (E_RNA)
where:
Base-Base interactions energy: -95.525
where: short stacking energy: -61.242
Base-Backbone interact. energy: -0.783
local terms energy: -78.853295
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -20.965
flat angles P-C4'-P energy: -17.245
tors. eta vs tors. theta energy: -8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -117.187333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.187333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.187333 (E_RNA)
where:
Base-Base interactions energy: -49.065
where: short stacking energy: -37.431
Base-Backbone interact. energy: -1.324
local terms energy: -66.799110
where:
bonds (distance) C4'-P energy: -20.997
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: 0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -116.213266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.213266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.213266 (E_RNA)
where:
Base-Base interactions energy: -59.820
where: short stacking energy: -47.248
Base-Backbone interact. energy: -0.301
local terms energy: -56.092831
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -127.081730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.081730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.081730 (E_RNA)
where:
Base-Base interactions energy: -65.330
where: short stacking energy: -44.413
Base-Backbone interact. energy: -0.040
local terms energy: -61.711542
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -2.093
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: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -326.609212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.609212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.609212 (E_RNA)
where:
Base-Base interactions energy: -220.517
where: short stacking energy: -93.978
Base-Backbone interact. energy: -0.502
local terms energy: -105.590663
where:
bonds (distance) C4'-P energy: -21.793
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -24.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -297.330515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.330515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.330515 (E_RNA)
where:
Base-Base interactions energy: -198.948
where: short stacking energy: -92.516
Base-Backbone interact. energy: -0.129
local terms energy: -98.253718
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -27.177
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: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -297.962004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.962004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.962004 (E_RNA)
where:
Base-Base interactions energy: -189.251
where: short stacking energy: -92.663
Base-Backbone interact. energy: -0.042
local terms energy: -108.669177
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -25.569
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -26.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -252.863385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.863385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.863385 (E_RNA)
where:
Base-Base interactions energy: -154.237
where: short stacking energy: -73.312
Base-Backbone interact. energy: 0.340
local terms energy: -98.966006
where:
bonds (distance) C4'-P energy: -22.773
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -22.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -182.673733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.673733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.673733 (E_RNA)
where:
Base-Base interactions energy: -108.615
where: short stacking energy: -54.813
Base-Backbone interact. energy: -1.698
local terms energy: -72.360809
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: -10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -208.137624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.137624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.137624 (E_RNA)
where:
Base-Base interactions energy: -128.241
where: short stacking energy: -74.764
Base-Backbone interact. energy: -1.115
local terms energy: -78.782047
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -19.240
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: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -180.184890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.184890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.184890 (E_RNA)
where:
Base-Base interactions energy: -98.378
where: short stacking energy: -63.396
Base-Backbone interact. energy: -0.268
local terms energy: -81.537921
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -11.649
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: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -113.127195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.127195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.127195 (E_RNA)
where:
Base-Base interactions energy: -50.750
where: short stacking energy: -41.000
Base-Backbone interact. energy: -2.311
local terms energy: -60.066546
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -3.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -111.421413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.421413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.421413 (E_RNA)
where:
Base-Base interactions energy: -40.997
where: short stacking energy: -40.997
Base-Backbone interact. energy: -0.382
local terms energy: -70.041971
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -6.986
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: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -107.738651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.738651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.738651 (E_RNA)
where:
Base-Base interactions energy: -38.459
where: short stacking energy: -34.446
Base-Backbone interact. energy: -0.203
local terms energy: -69.076187
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: 1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -325.740353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.740353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.740353 (E_RNA)
where:
Base-Base interactions energy: -220.558
where: short stacking energy: -98.847
Base-Backbone interact. energy: -0.165
local terms energy: -105.017407
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -18.255
tors. eta vs tors. theta energy: -22.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -291.932628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.932628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.932628 (E_RNA)
where:
Base-Base interactions energy: -188.658
where: short stacking energy: -105.442
Base-Backbone interact. energy: -1.199
local terms energy: -102.075572
where:
bonds (distance) C4'-P energy: -23.174
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -31.872
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: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -290.616852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.616852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.616852 (E_RNA)
where:
Base-Base interactions energy: -188.693
where: short stacking energy: -87.090
Base-Backbone interact. energy: -0.141
local terms energy: -101.782701
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -25.911
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -25.749
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: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -249.913384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.913384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.913384 (E_RNA)
where:
Base-Base interactions energy: -156.430
where: short stacking energy: -79.704
Base-Backbone interact. energy: -0.905
local terms energy: -92.578885
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -23.830
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -15.277
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: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -167.453453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.453453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.453453 (E_RNA)
where:
Base-Base interactions energy: -85.739
where: short stacking energy: -68.391
Base-Backbone interact. energy: -0.090
local terms energy: -81.624574
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -22.100
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -16.103
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: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -210.478203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.478203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.478203 (E_RNA)
where:
Base-Base interactions energy: -130.375
where: short stacking energy: -63.988
Base-Backbone interact. energy: -0.900
local terms energy: -79.203022
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -15.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -164.526696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.526696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.526696 (E_RNA)
where:
Base-Base interactions energy: -93.583
where: short stacking energy: -60.118
Base-Backbone interact. energy: -0.028
local terms energy: -70.915499
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: -8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -107.279380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.279380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.279380 (E_RNA)
where:
Base-Base interactions energy: -38.368
where: short stacking energy: -27.407
Base-Backbone interact. energy: -0.311
local terms energy: -68.600384
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: 3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -122.451991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.451991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.451991 (E_RNA)
where:
Base-Base interactions energy: -49.430
where: short stacking energy: -31.213
Base-Backbone interact. energy: -1.373
local terms energy: -71.648848
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -22.083
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -102.206247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.206247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.206247 (E_RNA)
where:
Base-Base interactions energy: -44.295
where: short stacking energy: -44.254
Base-Backbone interact. energy: -0.227
local terms energy: -57.684719
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -2.015
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -323.249100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.249100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.249100 (E_RNA)
where:
Base-Base interactions energy: -215.561
where: short stacking energy: -92.439
Base-Backbone interact. energy: -1.525
local terms energy: -106.163678
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -23.865
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: -26.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -291.865161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.865161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.865161 (E_RNA)
where:
Base-Base interactions energy: -181.309
where: short stacking energy: -96.077
Base-Backbone interact. energy: -0.318
local terms energy: -110.237354
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -30.032
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: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -276.755165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.755165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.755165 (E_RNA)
where:
Base-Base interactions energy: -178.749
where: short stacking energy: -93.268
Base-Backbone interact. energy: 0.208
local terms energy: -98.214535
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -22.640
flat angles P-C4'-P energy: -15.338
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: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -249.878799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.878799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.878799 (E_RNA)
where:
Base-Base interactions energy: -161.111
where: short stacking energy: -68.863
Base-Backbone interact. energy: -1.137
local terms energy: -87.630842
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -194.352538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.352538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.352538 (E_RNA)
where:
Base-Base interactions energy: -125.963
where: short stacking energy: -62.741
Base-Backbone interact. energy: -0.168
local terms energy: -68.221449
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -8.103
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: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -169.047859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.047859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.047859 (E_RNA)
where:
Base-Base interactions energy: -95.536
where: short stacking energy: -61.243
Base-Backbone interact. energy: -0.099
local terms energy: -73.412181
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -12.205
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: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -169.046219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.046219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.046219 (E_RNA)
where:
Base-Base interactions energy: -91.308
where: short stacking energy: -46.273
Base-Backbone interact. energy: -0.197
local terms energy: -77.540588
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -137.802337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.802337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.802337 (E_RNA)
where:
Base-Base interactions energy: -64.447
where: short stacking energy: -34.566
Base-Backbone interact. energy: -0.885
local terms energy: -72.470091
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -18.593
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -9.574
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: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -109.277123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.277123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.277123 (E_RNA)
where:
Base-Base interactions energy: -45.593
where: short stacking energy: -31.486
Base-Backbone interact. energy: -0.524
local terms energy: -63.159916
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -109.381036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.381036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.381036 (E_RNA)
where:
Base-Base interactions energy: -46.101
where: short stacking energy: -42.727
Base-Backbone interact. energy: -0.111
local terms energy: -63.168367
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -9.028
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -328.018013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.018013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.018013 (E_RNA)
where:
Base-Base interactions energy: -224.181
where: short stacking energy: -100.237
Base-Backbone interact. energy: -0.309
local terms energy: -103.528214
where:
bonds (distance) C4'-P energy: -22.450
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -27.210
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: 2, replica: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -304.608637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.608637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.608637 (E_RNA)
where:
Base-Base interactions energy: -202.540
where: short stacking energy: -101.931
Base-Backbone interact. energy: -0.154
local terms energy: -101.914130
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -29.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -265.345934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.345934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.345934 (E_RNA)
where:
Base-Base interactions energy: -163.320
where: short stacking energy: -81.707
Base-Backbone interact. energy: -0.247
local terms energy: -101.779363
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -24.206
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -172.361154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.361154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.361154 (E_RNA)
where:
Base-Base interactions energy: -101.579
where: short stacking energy: -63.283
Base-Backbone interact. energy: 4.534
local terms energy: -75.316431
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -8.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -225.057870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.057870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.057870 (E_RNA)
where:
Base-Base interactions energy: -136.682
where: short stacking energy: -63.556
Base-Backbone interact. energy: -0.616
local terms energy: -87.759563
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -14.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -167.122538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.122538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.122538 (E_RNA)
where:
Base-Base interactions energy: -91.886
where: short stacking energy: -59.436
Base-Backbone interact. energy: -0.856
local terms energy: -74.380056
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -7.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -157.948089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.948089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.948089 (E_RNA)
where:
Base-Base interactions energy: -73.927
where: short stacking energy: -43.239
Base-Backbone interact. energy: -1.307
local terms energy: -82.713824
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -7.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -125.386604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.386604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.386604 (E_RNA)
where:
Base-Base interactions energy: -55.322
where: short stacking energy: -48.214
Base-Backbone interact. energy: 0.324
local terms energy: -70.388843
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -108.037568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.037568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.037568 (E_RNA)
where:
Base-Base interactions energy: -40.312
where: short stacking energy: -33.399
Base-Backbone interact. energy: -0.089
local terms energy: -67.636048
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -5.418
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: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -101.583958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.583958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.583958 (E_RNA)
where:
Base-Base interactions energy: -48.873
where: short stacking energy: -47.320
Base-Backbone interact. energy: -0.197
local terms energy: -52.514018
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -2.207
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: 1, replica: 10
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -314.783462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.783462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.783462 (E_RNA)
where:
Base-Base interactions energy: -205.566
where: short stacking energy: -100.293
Base-Backbone interact. energy: 0.535
local terms energy: -109.752472
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -20.653
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -31.372
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: 162
Temperature: 0.950000
Total energy: -310.331980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.331980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.331980 (E_RNA)
where:
Base-Base interactions energy: -209.093
where: short stacking energy: -95.887
Base-Backbone interact. energy: -0.545
local terms energy: -100.693492
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -20.798
flat angles C4'-P-C4' energy: -22.494
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -27.888
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: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -266.802914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.802914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.802914 (E_RNA)
where:
Base-Base interactions energy: -164.317
where: short stacking energy: -86.624
Base-Backbone interact. energy: -0.034
local terms energy: -102.452223
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -24.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -183.964588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.964588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.964588 (E_RNA)
where:
Base-Base interactions energy: -98.492
where: short stacking energy: -69.370
Base-Backbone interact. energy: -0.732
local terms energy: -84.740375
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -24.575
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -11.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -190.620769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.620769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.620769 (E_RNA)
where:
Base-Base interactions energy: -96.693
where: short stacking energy: -69.068
Base-Backbone interact. energy: -1.334
local terms energy: -92.594588
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -20.438
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: 162
Temperature: 1.150000
Total energy: -196.115276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.115276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.115276 (E_RNA)
where:
Base-Base interactions energy: -117.634
where: short stacking energy: -56.664
Base-Backbone interact. energy: 0.011
local terms energy: -78.492202
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -24.272
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -178.622072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.622072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.622072 (E_RNA)
where:
Base-Base interactions energy: -103.633
where: short stacking energy: -57.173
Base-Backbone interact. energy: 3.534
local terms energy: -78.523033
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -10.025
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: 8, replica: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -128.847512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.847512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.847512 (E_RNA)
where:
Base-Base interactions energy: -61.687
where: short stacking energy: -45.740
Base-Backbone interact. energy: 2.019
local terms energy: -69.179904
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -7.328
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: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -118.843254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.843254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.843254 (E_RNA)
where:
Base-Base interactions energy: -42.956
where: short stacking energy: -28.384
Base-Backbone interact. energy: -0.214
local terms energy: -75.673022
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -12.068
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: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -132.812984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.812984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.812984 (E_RNA)
where:
Base-Base interactions energy: -68.211
where: short stacking energy: -42.509
Base-Backbone interact. energy: -0.458
local terms energy: -64.144402
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -321.865068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.865068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.865068 (E_RNA)
where:
Base-Base interactions energy: -206.775
where: short stacking energy: -105.511
Base-Backbone interact. energy: -0.700
local terms energy: -114.389735
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -19.002
tors. eta vs tors. theta energy: -32.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -297.940769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.940769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.940769 (E_RNA)
where:
Base-Base interactions energy: -195.287
where: short stacking energy: -88.376
Base-Backbone interact. energy: -1.178
local terms energy: -101.475717
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -22.382
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -24.106
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: 3, replica: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -271.155735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.155735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.155735 (E_RNA)
where:
Base-Base interactions energy: -182.599
where: short stacking energy: -91.570
Base-Backbone interact. energy: -0.070
local terms energy: -88.486532
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -21.537
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -18.377
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: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -186.944564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.944564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.944564 (E_RNA)
where:
Base-Base interactions energy: -99.085
where: short stacking energy: -72.035
Base-Backbone interact. energy: -0.141
local terms energy: -87.718972
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -22.211
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -14.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -171.907809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.907809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.907809 (E_RNA)
where:
Base-Base interactions energy: -86.203
where: short stacking energy: -54.531
Base-Backbone interact. energy: -1.956
local terms energy: -83.748616
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -10.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -193.704856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.704856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.704856 (E_RNA)
where:
Base-Base interactions energy: -121.085
where: short stacking energy: -60.979
Base-Backbone interact. energy: -0.064
local terms energy: -72.555748
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -20.538
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -157.995108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.995108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.995108 (E_RNA)
where:
Base-Base interactions energy: -85.497
where: short stacking energy: -42.617
Base-Backbone interact. energy: -0.373
local terms energy: -72.124244
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -109.668288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.668288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.668288 (E_RNA)
where:
Base-Base interactions energy: -41.938
where: short stacking energy: -37.318
Base-Backbone interact. energy: -0.395
local terms energy: -67.335054
where:
bonds (distance) C4'-P energy: -22.090
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -102.147247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.147247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.147247 (E_RNA)
where:
Base-Base interactions energy: -37.773
where: short stacking energy: -29.570
Base-Backbone interact. energy: -1.207
local terms energy: -63.166395
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: 0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -128.364831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.364831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.364831 (E_RNA)
where:
Base-Base interactions energy: -64.658
where: short stacking energy: -34.936
Base-Backbone interact. energy: -1.176
local terms energy: -62.530871
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -21.019
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -7.872
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: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -301.245846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.245846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.245846 (E_RNA)
where:
Base-Base interactions energy: -201.252
where: short stacking energy: -84.469
Base-Backbone interact. energy: -0.210
local terms energy: -99.784338
where:
bonds (distance) C4'-P energy: -22.443
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -20.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -310.316579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.316579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.316579 (E_RNA)
where:
Base-Base interactions energy: -208.424
where: short stacking energy: -102.342
Base-Backbone interact. energy: -0.054
local terms energy: -101.838894
where:
bonds (distance) C4'-P energy: -24.574
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -26.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -279.106396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.106396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.106396 (E_RNA)
where:
Base-Base interactions energy: -165.098
where: short stacking energy: -91.662
Base-Backbone interact. energy: -1.949
local terms energy: -112.060093
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -14.657
tors. eta vs tors. theta energy: -29.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -204.576434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.576434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.576434 (E_RNA)
where:
Base-Base interactions energy: -112.009
where: short stacking energy: -75.326
Base-Backbone interact. energy: -0.453
local terms energy: -92.115335
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -17.133
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: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -206.718705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.718705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.718705 (E_RNA)
where:
Base-Base interactions energy: -115.723
where: short stacking energy: -73.404
Base-Backbone interact. energy: -0.142
local terms energy: -90.854118
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -14.183
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: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -156.087659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.087659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.087659 (E_RNA)
where:
Base-Base interactions energy: -73.596
where: short stacking energy: -46.693
Base-Backbone interact. energy: 1.517
local terms energy: -84.008297
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -116.889054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.889054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.889054 (E_RNA)
where:
Base-Base interactions energy: -49.350
where: short stacking energy: -48.815
Base-Backbone interact. energy: -0.291
local terms energy: -67.248132
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: 0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -158.594374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.594374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.594374 (E_RNA)
where:
Base-Base interactions energy: -93.454
where: short stacking energy: -44.177
Base-Backbone interact. energy: 0.017
local terms energy: -65.157949
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -9.054
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: 164
Temperature: 1.300000
Total energy: -132.173126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.173126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.173126 (E_RNA)
where:
Base-Base interactions energy: -67.838
where: short stacking energy: -43.967
Base-Backbone interact. energy: -0.145
local terms energy: -64.189673
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -22.590
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: 0.649
tors. eta vs tors. theta energy: -5.675
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: 164
Temperature: 1.350000
Total energy: -122.128474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.128474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.128474 (E_RNA)
where:
Base-Base interactions energy: -67.076
where: short stacking energy: -32.300
Base-Backbone interact. energy: 2.596
local terms energy: -57.647911
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -329.505074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.505074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.505074 (E_RNA)
where:
Base-Base interactions energy: -229.629
where: short stacking energy: -100.094
Base-Backbone interact. energy: -0.024
local terms energy: -99.852800
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -21.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -305.931857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.931857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.931857 (E_RNA)
where:
Base-Base interactions energy: -194.199
where: short stacking energy: -97.730
Base-Backbone interact. energy: 0.333
local terms energy: -112.065718
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -20.605
flat angles C4'-P-C4' energy: -25.085
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -31.897
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: 165
Temperature: 1.000000
Total energy: -276.206742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.206742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.206742 (E_RNA)
where:
Base-Base interactions energy: -176.585
where: short stacking energy: -87.114
Base-Backbone interact. energy: -0.349
local terms energy: -99.273234
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -23.745
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -26.025
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: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -217.335949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.335949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.335949 (E_RNA)
where:
Base-Base interactions energy: -139.579
where: short stacking energy: -66.285
Base-Backbone interact. energy: 1.457
local terms energy: -79.213737
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -15.869
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: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -213.810838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.810838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.810838 (E_RNA)
where:
Base-Base interactions energy: -132.501
where: short stacking energy: -67.613
Base-Backbone interact. energy: -0.080
local terms energy: -81.229780
where:
bonds (distance) C4'-P energy: -22.387
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -16.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -160.917139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.917139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.917139 (E_RNA)
where:
Base-Base interactions energy: -79.469
where: short stacking energy: -50.673
Base-Backbone interact. energy: -1.185
local terms energy: -80.263275
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -143.283377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.283377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.283377 (E_RNA)
where:
Base-Base interactions energy: -69.195
where: short stacking energy: -49.275
Base-Backbone interact. energy: 0.522
local terms energy: -74.610040
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -7.452
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: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -103.919332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.919332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.919332 (E_RNA)
where:
Base-Base interactions energy: -32.308
where: short stacking energy: -27.580
Base-Backbone interact. energy: -0.618
local terms energy: -70.993719
where:
bonds (distance) C4'-P energy: -23.785
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -143.452553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.452553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.452553 (E_RNA)
where:
Base-Base interactions energy: -82.091
where: short stacking energy: -53.306
Base-Backbone interact. energy: -1.278
local terms energy: -60.083439
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -103.241501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.241501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.241501 (E_RNA)
where:
Base-Base interactions energy: -36.500
where: short stacking energy: -29.595
Base-Backbone interact. energy: -0.215
local terms energy: -66.527139
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: 5.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -318.631673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.631673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.631673 (E_RNA)
where:
Base-Base interactions energy: -223.727
where: short stacking energy: -99.070
Base-Backbone interact. energy: -0.997
local terms energy: -93.907473
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -23.779
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: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -316.420374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.420374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.420374 (E_RNA)
where:
Base-Base interactions energy: -205.226
where: short stacking energy: -104.214
Base-Backbone interact. energy: -0.189
local terms energy: -111.005619
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -22.676
flat angles P-C4'-P energy: -17.798
tors. eta vs tors. theta energy: -31.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -266.283108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.283108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.283108 (E_RNA)
where:
Base-Base interactions energy: -175.446
where: short stacking energy: -82.440
Base-Backbone interact. energy: -0.253
local terms energy: -90.584229
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -22.310
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -18.068
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: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -272.128366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.128366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.128366 (E_RNA)
where:
Base-Base interactions energy: -184.671
where: short stacking energy: -87.216
Base-Backbone interact. energy: -1.233
local terms energy: -86.224048
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -21.774
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: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -218.202691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.202691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.202691 (E_RNA)
where:
Base-Base interactions energy: -131.472
where: short stacking energy: -68.878
Base-Backbone interact. energy: -0.449
local terms energy: -86.281727
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -179.641909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.641909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.641909 (E_RNA)
where:
Base-Base interactions energy: -94.548
where: short stacking energy: -57.461
Base-Backbone interact. energy: -0.768
local terms energy: -84.326455
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -167.689876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.689876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.689876 (E_RNA)
where:
Base-Base interactions energy: -91.715
where: short stacking energy: -46.121
Base-Backbone interact. energy: -0.389
local terms energy: -75.586698
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -4.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -108.011160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.011160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.011160 (E_RNA)
where:
Base-Base interactions energy: -42.335
where: short stacking energy: -42.335
Base-Backbone interact. energy: 1.343
local terms energy: -67.019526
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -8.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -156.953363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.953363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.953363 (E_RNA)
where:
Base-Base interactions energy: -76.962
where: short stacking energy: -49.276
Base-Backbone interact. energy: -0.243
local terms energy: -79.748680
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -109.376116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.376116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.376116 (E_RNA)
where:
Base-Base interactions energy: -42.406
where: short stacking energy: -34.429
Base-Backbone interact. energy: -0.198
local terms energy: -66.772948
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -325.844103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.844103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.844103 (E_RNA)
where:
Base-Base interactions energy: -220.496
where: short stacking energy: -99.278
Base-Backbone interact. energy: -0.256
local terms energy: -105.092045
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -22.523
flat angles C4'-P-C4' energy: -25.533
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -26.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -320.181250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.181250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.181250 (E_RNA)
where:
Base-Base interactions energy: -207.819
where: short stacking energy: -108.115
Base-Backbone interact. energy: 0.439
local terms energy: -112.801869
where:
bonds (distance) C4'-P energy: -21.279
bonds (distance) P-C4' energy: -19.984
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -31.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -306.661575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.661575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.661575 (E_RNA)
where:
Base-Base interactions energy: -201.402
where: short stacking energy: -90.065
Base-Backbone interact. energy: -0.402
local terms energy: -104.857216
where:
bonds (distance) C4'-P energy: -21.319
bonds (distance) P-C4' energy: -23.845
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -22.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -265.458861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.458861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.458861 (E_RNA)
where:
Base-Base interactions energy: -175.169
where: short stacking energy: -90.126
Base-Backbone interact. energy: -0.044
local terms energy: -90.245594
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: -25.518
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: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -237.647369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.647369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.647369 (E_RNA)
where:
Base-Base interactions energy: -148.613
where: short stacking energy: -83.645
Base-Backbone interact. energy: -0.146
local terms energy: -88.888914
where:
bonds (distance) C4'-P energy: -21.551
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -22.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -171.454386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.454386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.454386 (E_RNA)
where:
Base-Base interactions energy: -94.006
where: short stacking energy: -60.453
Base-Backbone interact. energy: 0.061
local terms energy: -77.509224
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -12.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -173.367968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.367968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.367968 (E_RNA)
where:
Base-Base interactions energy: -97.012
where: short stacking energy: -58.225
Base-Backbone interact. energy: 0.235
local terms energy: -76.590726
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -13.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -147.667201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.667201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.667201 (E_RNA)
where:
Base-Base interactions energy: -70.860
where: short stacking energy: -39.874
Base-Backbone interact. energy: -0.802
local terms energy: -76.004693
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -10.843
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: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -109.809067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.809067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.809067 (E_RNA)
where:
Base-Base interactions energy: -41.541
where: short stacking energy: -40.405
Base-Backbone interact. energy: -0.052
local terms energy: -68.216567
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -3.246
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: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -110.703816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.703816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.703816 (E_RNA)
where:
Base-Base interactions energy: -41.875
where: short stacking energy: -31.137
Base-Backbone interact. energy: -0.200
local terms energy: -68.628671
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -317.331794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.331794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.331794 (E_RNA)
where:
Base-Base interactions energy: -208.563
where: short stacking energy: -106.209
Base-Backbone interact. energy: -0.129
local terms energy: -108.640190
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -16.501
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: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -322.062915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.062915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.062915 (E_RNA)
where:
Base-Base interactions energy: -222.529
where: short stacking energy: -93.868
Base-Backbone interact. energy: -0.117
local terms energy: -99.416986
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -23.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -295.183029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.183029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.183029 (E_RNA)
where:
Base-Base interactions energy: -204.060
where: short stacking energy: -89.597
Base-Backbone interact. energy: -0.336
local terms energy: -90.786412
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -13.633
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: 4, replica: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -260.736687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.736687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.736687 (E_RNA)
where:
Base-Base interactions energy: -166.130
where: short stacking energy: -80.066
Base-Backbone interact. energy: -0.314
local terms energy: -94.292496
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -22.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -241.081199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.081199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.081199 (E_RNA)
where:
Base-Base interactions energy: -148.577
where: short stacking energy: -75.927
Base-Backbone interact. energy: -0.160
local terms energy: -92.343811
where:
bonds (distance) C4'-P energy: -20.972
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -15.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -160.507758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.507758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.507758 (E_RNA)
where:
Base-Base interactions energy: -76.438
where: short stacking energy: -45.503
Base-Backbone interact. energy: -2.359
local terms energy: -81.710403
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -20.497
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -9.519
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: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -124.323146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.323146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.323146 (E_RNA)
where:
Base-Base interactions energy: -56.999
where: short stacking energy: -27.631
Base-Backbone interact. energy: -0.809
local terms energy: -66.515706
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -139.888909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.888909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.888909 (E_RNA)
where:
Base-Base interactions energy: -77.550
where: short stacking energy: -39.316
Base-Backbone interact. energy: -0.149
local terms energy: -62.189253
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -5.271
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: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -115.421279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.421279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.421279 (E_RNA)
where:
Base-Base interactions energy: -46.260
where: short stacking energy: -42.458
Base-Backbone interact. energy: -0.094
local terms energy: -69.067679
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -7.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -105.732500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.732500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.732500 (E_RNA)
where:
Base-Base interactions energy: -35.715
where: short stacking energy: -35.715
Base-Backbone interact. energy: -0.077
local terms energy: -69.941072
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -14.880
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: 1, replica: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -320.425166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.425166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.425166 (E_RNA)
where:
Base-Base interactions energy: -207.902
where: short stacking energy: -103.731
Base-Backbone interact. energy: -0.141
local terms energy: -112.381928
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -24.626
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -28.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -322.189441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.189441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.189441 (E_RNA)
where:
Base-Base interactions energy: -218.137
where: short stacking energy: -91.072
Base-Backbone interact. energy: -0.609
local terms energy: -103.444033
where:
bonds (distance) C4'-P energy: -21.456
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -23.569
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: 169
Temperature: 1.000000
Total energy: -291.168886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.168886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.168886 (E_RNA)
where:
Base-Base interactions energy: -198.099
where: short stacking energy: -84.397
Base-Backbone interact. energy: 3.067
local terms energy: -96.136513
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -24.276
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -22.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -231.847201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.847201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.847201 (E_RNA)
where:
Base-Base interactions energy: -136.889
where: short stacking energy: -69.525
Base-Backbone interact. energy: -1.853
local terms energy: -93.104661
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -13.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -249.017368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.017368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.017368 (E_RNA)
where:
Base-Base interactions energy: -158.017
where: short stacking energy: -79.474
Base-Backbone interact. energy: -0.158
local terms energy: -90.842193
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -21.262
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: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -185.074683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.074683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.074683 (E_RNA)
where:
Base-Base interactions energy: -106.753
where: short stacking energy: -62.103
Base-Backbone interact. energy: -0.309
local terms energy: -78.012784
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -20.131
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -17.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -150.612695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.612695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.612695 (E_RNA)
where:
Base-Base interactions energy: -84.954
where: short stacking energy: -52.058
Base-Backbone interact. energy: -0.393
local terms energy: -65.265450
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -9.252
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: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -137.997761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.997761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.997761 (E_RNA)
where:
Base-Base interactions energy: -68.884
where: short stacking energy: -41.345
Base-Backbone interact. energy: -0.080
local terms energy: -69.033648
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -9.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -106.359692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.359692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.359692 (E_RNA)
where:
Base-Base interactions energy: -37.731
where: short stacking energy: -33.146
Base-Backbone interact. energy: -0.631
local terms energy: -67.997948
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -96.590774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.590774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.590774 (E_RNA)
where:
Base-Base interactions energy: -38.253
where: short stacking energy: -37.857
Base-Backbone interact. energy: 1.624
local terms energy: -59.961184
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -2.018
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: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -329.353217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.353217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.353217 (E_RNA)
where:
Base-Base interactions energy: -223.523
where: short stacking energy: -102.103
Base-Backbone interact. energy: -0.126
local terms energy: -105.704337
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -25.728
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -15.709
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: 2, replica: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -315.103549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.103549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.103549 (E_RNA)
where:
Base-Base interactions energy: -203.069
where: short stacking energy: -106.679
Base-Backbone interact. energy: -0.372
local terms energy: -111.663188
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -31.434
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: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -287.091487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.091487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.091487 (E_RNA)
where:
Base-Base interactions energy: -199.647
where: short stacking energy: -87.995
Base-Backbone interact. energy: -1.216
local terms energy: -86.228336
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -20.842
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -231.995117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.995117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.995117 (E_RNA)
where:
Base-Base interactions energy: -143.732
where: short stacking energy: -73.542
Base-Backbone interact. energy: -0.814
local terms energy: -87.449599
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -246.605803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.605803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.605803 (E_RNA)
where:
Base-Base interactions energy: -151.995
where: short stacking energy: -67.506
Base-Backbone interact. energy: -1.002
local terms energy: -93.607966
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -22.891
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -22.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -214.789559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.789559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.789559 (E_RNA)
where:
Base-Base interactions energy: -135.611
where: short stacking energy: -68.328
Base-Backbone interact. energy: 0.079
local terms energy: -79.257021
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -10.448
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: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -158.500016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.500016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.500016 (E_RNA)
where:
Base-Base interactions energy: -93.530
where: short stacking energy: -51.626
Base-Backbone interact. energy: -0.962
local terms energy: -64.008059
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -20.944
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -6.378
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: 2
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -131.349793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.349793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.349793 (E_RNA)
where:
Base-Base interactions energy: -65.956
where: short stacking energy: -42.261
Base-Backbone interact. energy: -0.362
local terms energy: -65.031649
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -104.284849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.284849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.284849 (E_RNA)
where:
Base-Base interactions energy: -48.610
where: short stacking energy: -41.050
Base-Backbone interact. energy: 0.542
local terms energy: -56.216650
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -95.163547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.163547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.163547 (E_RNA)
where:
Base-Base interactions energy: -39.152
where: short stacking energy: -27.100
Base-Backbone interact. energy: -0.506
local terms energy: -55.505653
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: 2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -334.618246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.618246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.618246 (E_RNA)
where:
Base-Base interactions energy: -224.484
where: short stacking energy: -94.061
Base-Backbone interact. energy: -0.486
local terms energy: -109.647954
where:
bonds (distance) C4'-P energy: -24.255
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -22.694
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -29.526
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: 171
Temperature: 0.950000
Total energy: -311.278618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.278618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.278618 (E_RNA)
where:
Base-Base interactions energy: -207.226
where: short stacking energy: -101.067
Base-Backbone interact. energy: -0.243
local terms energy: -103.810135
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -25.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -286.932879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.932879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.932879 (E_RNA)
where:
Base-Base interactions energy: -190.841
where: short stacking energy: -82.029
Base-Backbone interact. energy: 0.425
local terms energy: -96.516312
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -254.101873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.101873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.101873 (E_RNA)
where:
Base-Base interactions energy: -157.163
where: short stacking energy: -77.135
Base-Backbone interact. energy: -0.406
local terms energy: -96.532765
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -22.429
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -16.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -241.133260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.133260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.133260 (E_RNA)
where:
Base-Base interactions energy: -150.872
where: short stacking energy: -75.039
Base-Backbone interact. energy: 1.525
local terms energy: -91.786225
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -162.461918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.461918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.461918 (E_RNA)
where:
Base-Base interactions energy: -84.168
where: short stacking energy: -54.032
Base-Backbone interact. energy: -1.340
local terms energy: -76.953914
where:
bonds (distance) C4'-P energy: -22.248
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -5.973
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: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -188.277862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.277862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.277862 (E_RNA)
where:
Base-Base interactions energy: -109.460
where: short stacking energy: -63.110
Base-Backbone interact. energy: -0.464
local terms energy: -78.353495
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -19.637
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -19.118
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: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -126.605443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.605443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.605443 (E_RNA)
where:
Base-Base interactions energy: -55.678
where: short stacking energy: -45.510
Base-Backbone interact. energy: 1.738
local terms energy: -72.665442
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -116.483254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.483254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.483254 (E_RNA)
where:
Base-Base interactions energy: -41.531
where: short stacking energy: -41.463
Base-Backbone interact. energy: -1.263
local terms energy: -73.689172
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -5.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -117.941169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.941169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.941169 (E_RNA)
where:
Base-Base interactions energy: -59.345
where: short stacking energy: -39.395
Base-Backbone interact. energy: -0.145
local terms energy: -58.451853
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -4.542
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: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -327.214473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.214473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.214473 (E_RNA)
where:
Base-Base interactions energy: -217.630
where: short stacking energy: -96.880
Base-Backbone interact. energy: 0.024
local terms energy: -109.608603
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -19.348
tors. eta vs tors. theta energy: -26.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -304.054732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.054732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.054732 (E_RNA)
where:
Base-Base interactions energy: -196.227
where: short stacking energy: -102.330
Base-Backbone interact. energy: -1.062
local terms energy: -106.765242
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -24.202
flat angles P-C4'-P energy: -19.388
tors. eta vs tors. theta energy: -29.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -281.831373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.831373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.831373 (E_RNA)
where:
Base-Base interactions energy: -181.708
where: short stacking energy: -96.212
Base-Backbone interact. energy: 1.064
local terms energy: -101.187904
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -24.244
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: 172
Temperature: 1.050000
Total energy: -267.166469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.166469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.166469 (E_RNA)
where:
Base-Base interactions energy: -177.364
where: short stacking energy: -76.703
Base-Backbone interact. energy: -0.550
local terms energy: -89.252484
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -22.818
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -183.853690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.853690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.853690 (E_RNA)
where:
Base-Base interactions energy: -101.008
where: short stacking energy: -65.184
Base-Backbone interact. energy: -0.748
local terms energy: -82.097887
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -14.442
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: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -225.625006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.625006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.625006 (E_RNA)
where:
Base-Base interactions energy: -145.816
where: short stacking energy: -72.869
Base-Backbone interact. energy: -0.059
local terms energy: -79.749663
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -16.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -162.074246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.074246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.074246 (E_RNA)
where:
Base-Base interactions energy: -78.436
where: short stacking energy: -44.805
Base-Backbone interact. energy: -0.237
local terms energy: -83.401950
where:
bonds (distance) C4'-P energy: -20.444
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -21.027
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -11.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -170.726870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.726870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.726870 (E_RNA)
where:
Base-Base interactions energy: -97.663
where: short stacking energy: -52.545
Base-Backbone interact. energy: -0.181
local terms energy: -72.882441
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -9.345
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: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -118.729990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.729990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.729990 (E_RNA)
where:
Base-Base interactions energy: -46.353
where: short stacking energy: -43.498
Base-Backbone interact. energy: -0.282
local terms energy: -72.095206
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -15.721
tors. eta vs tors. theta energy: -4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -120.801204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.801204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.801204 (E_RNA)
where:
Base-Base interactions energy: -42.974
where: short stacking energy: -31.070
Base-Backbone interact. energy: -1.943
local terms energy: -75.884304
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -328.519615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.519615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.519615 (E_RNA)
where:
Base-Base interactions energy: -227.552
where: short stacking energy: -100.126
Base-Backbone interact. energy: -0.268
local terms energy: -100.699694
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -17.460
tors. eta vs tors. theta energy: -25.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -306.974771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.974771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.974771 (E_RNA)
where:
Base-Base interactions energy: -203.754
where: short stacking energy: -103.023
Base-Backbone interact. energy: -0.027
local terms energy: -103.194140
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -29.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -268.390321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.390321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.390321 (E_RNA)
where:
Base-Base interactions energy: -170.091
where: short stacking energy: -91.138
Base-Backbone interact. energy: -0.026
local terms energy: -98.273245
where:
bonds (distance) C4'-P energy: -20.161
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -24.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -281.448124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.448124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.448124 (E_RNA)
where:
Base-Base interactions energy: -189.749
where: short stacking energy: -88.725
Base-Backbone interact. energy: 1.317
local terms energy: -93.016438
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -12.266
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: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -180.681365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.681365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.681365 (E_RNA)
where:
Base-Base interactions energy: -93.336
where: short stacking energy: -59.720
Base-Backbone interact. energy: -0.217
local terms energy: -87.127948
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -12.851
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: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -241.789189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.789189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.789189 (E_RNA)
where:
Base-Base interactions energy: -160.106
where: short stacking energy: -84.465
Base-Backbone interact. energy: -0.518
local terms energy: -81.165703
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -20.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -171.250347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.250347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.250347 (E_RNA)
where:
Base-Base interactions energy: -107.982
where: short stacking energy: -51.605
Base-Backbone interact. energy: -1.819
local terms energy: -61.449085
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -23.498
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: -2.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -168.769117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.769117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.769117 (E_RNA)
where:
Base-Base interactions energy: -91.717
where: short stacking energy: -57.465
Base-Backbone interact. energy: -0.239
local terms energy: -76.812419
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -8.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -125.050432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.050432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.050432 (E_RNA)
where:
Base-Base interactions energy: -48.240
where: short stacking energy: -39.970
Base-Backbone interact. energy: -0.052
local terms energy: -76.758903
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -15.061
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: 10, replica: 2
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -119.588712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.588712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.588712 (E_RNA)
where:
Base-Base interactions energy: -48.728
where: short stacking energy: -38.380
Base-Backbone interact. energy: -0.022
local terms energy: -70.838154
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -0.238
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: 10
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -306.713977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.713977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.713977 (E_RNA)
where:
Base-Base interactions energy: -196.198
where: short stacking energy: -100.398
Base-Backbone interact. energy: -0.662
local terms energy: -109.854416
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -23.552
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -30.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -318.421106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.421106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.421106 (E_RNA)
where:
Base-Base interactions energy: -220.993
where: short stacking energy: -94.988
Base-Backbone interact. energy: -1.131
local terms energy: -96.297738
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -23.244
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -22.882
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: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -290.300107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.300107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.300107 (E_RNA)
where:
Base-Base interactions energy: -193.348
where: short stacking energy: -83.742
Base-Backbone interact. energy: -0.364
local terms energy: -96.589053
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -18.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -251.761527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.761527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.761527 (E_RNA)
where:
Base-Base interactions energy: -147.061
where: short stacking energy: -78.979
Base-Backbone interact. energy: -0.397
local terms energy: -104.302895
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -18.491
tors. eta vs tors. theta energy: -25.391
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: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -215.952491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.952491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.952491 (E_RNA)
where:
Base-Base interactions energy: -138.873
where: short stacking energy: -67.264
Base-Backbone interact. energy: -0.629
local terms energy: -76.449654
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -157.126692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.126692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.126692 (E_RNA)
where:
Base-Base interactions energy: -85.404
where: short stacking energy: -51.110
Base-Backbone interact. energy: 0.323
local terms energy: -72.046140
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -165.148664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.148664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.148664 (E_RNA)
where:
Base-Base interactions energy: -89.031
where: short stacking energy: -54.299
Base-Backbone interact. energy: -0.737
local terms energy: -75.380976
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -12.243
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: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -175.453424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.453424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.453424 (E_RNA)
where:
Base-Base interactions energy: -110.382
where: short stacking energy: -60.062
Base-Backbone interact. energy: -0.475
local terms energy: -64.595656
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -6.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -104.186948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.186948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.186948 (E_RNA)
where:
Base-Base interactions energy: -41.972
where: short stacking energy: -34.348
Base-Backbone interact. energy: -0.249
local terms energy: -61.965756
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -106.056894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.056894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.056894 (E_RNA)
where:
Base-Base interactions energy: -44.250
where: short stacking energy: -33.153
Base-Backbone interact. energy: -0.613
local terms energy: -61.194437
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -309.261959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.261959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.261959 (E_RNA)
where:
Base-Base interactions energy: -202.949
where: short stacking energy: -102.213
Base-Backbone interact. energy: -0.203
local terms energy: -106.110352
where:
bonds (distance) C4'-P energy: -22.366
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -22.639
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -29.522
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: 2, replica: 9
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -319.692887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.692887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.692887 (E_RNA)
where:
Base-Base interactions energy: -220.320
where: short stacking energy: -100.752
Base-Backbone interact. energy: -0.434
local terms energy: -98.938240
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -20.715
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: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -279.316380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.316380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.316380 (E_RNA)
where:
Base-Base interactions energy: -189.508
where: short stacking energy: -72.890
Base-Backbone interact. energy: -1.749
local terms energy: -88.059229
where:
bonds (distance) C4'-P energy: -21.096
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -21.271
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -14.445
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: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -235.123457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.123457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.123457 (E_RNA)
where:
Base-Base interactions energy: -144.334
where: short stacking energy: -71.283
Base-Backbone interact. energy: -0.304
local terms energy: -90.486268
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -21.953
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -258.256083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.256083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.256083 (E_RNA)
where:
Base-Base interactions energy: -158.533
where: short stacking energy: -72.385
Base-Backbone interact. energy: 0.116
local terms energy: -99.838384
where:
bonds (distance) C4'-P energy: -20.602
bonds (distance) P-C4' energy: -24.903
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -177.471372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.471372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.471372 (E_RNA)
where:
Base-Base interactions energy: -96.653
where: short stacking energy: -55.844
Base-Backbone interact. energy: -0.100
local terms energy: -80.718009
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -11.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -157.585718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.585718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.585718 (E_RNA)
where:
Base-Base interactions energy: -85.435
where: short stacking energy: -54.037
Base-Backbone interact. energy: -0.549
local terms energy: -71.601047
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -171.080977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.080977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.080977 (E_RNA)
where:
Base-Base interactions energy: -90.890
where: short stacking energy: -47.408
Base-Backbone interact. energy: -0.408
local terms energy: -79.782679
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -9.183
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: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -110.257964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.257964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.257964 (E_RNA)
where:
Base-Base interactions energy: -48.064
where: short stacking energy: -18.726
Base-Backbone interact. energy: 1.201
local terms energy: -63.394366
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -101.740462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.740462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.740462 (E_RNA)
where:
Base-Base interactions energy: -37.222
where: short stacking energy: -30.537
Base-Backbone interact. energy: 0.274
local terms energy: -64.791760
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -331.210546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.210546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.210546 (E_RNA)
where:
Base-Base interactions energy: -223.991
where: short stacking energy: -100.107
Base-Backbone interact. energy: -0.609
local terms energy: -106.611022
where:
bonds (distance) C4'-P energy: -24.379
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -18.288
tors. eta vs tors. theta energy: -25.220
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: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -295.039842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.039842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.039842 (E_RNA)
where:
Base-Base interactions energy: -193.038
where: short stacking energy: -97.140
Base-Backbone interact. energy: -0.121
local terms energy: -101.880225
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -20.339
flat angles C4'-P-C4' energy: -22.925
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -28.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -245.893425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.893425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.893425 (E_RNA)
where:
Base-Base interactions energy: -167.246
where: short stacking energy: -79.178
Base-Backbone interact. energy: -0.639
local terms energy: -78.008536
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -19.614
flat angles P-C4'-P energy: -2.785
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: 4, replica: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -262.283106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.283106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.283106 (E_RNA)
where:
Base-Base interactions energy: -177.742
where: short stacking energy: -70.696
Base-Backbone interact. energy: 1.885
local terms energy: -86.426578
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -264.477667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.477667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.477667 (E_RNA)
where:
Base-Base interactions energy: -171.824
where: short stacking energy: -71.468
Base-Backbone interact. energy: -0.005
local terms energy: -92.649056
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -21.231
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: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -185.303973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.303973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.303973 (E_RNA)
where:
Base-Base interactions energy: -109.654
where: short stacking energy: -56.526
Base-Backbone interact. energy: -0.222
local terms energy: -75.428235
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -203.577100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.577100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.577100 (E_RNA)
where:
Base-Base interactions energy: -131.344
where: short stacking energy: -67.268
Base-Backbone interact. energy: -0.292
local terms energy: -71.940430
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -154.594744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.594744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.594744 (E_RNA)
where:
Base-Base interactions energy: -87.956
where: short stacking energy: -40.125
Base-Backbone interact. energy: -0.155
local terms energy: -66.483953
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -6.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -110.165913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.165913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.165913 (E_RNA)
where:
Base-Base interactions energy: -38.106
where: short stacking energy: -35.002
Base-Backbone interact. energy: 0.164
local terms energy: -72.224446
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: -5.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -118.479007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.479007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.479007 (E_RNA)
where:
Base-Base interactions energy: -53.531
where: short stacking energy: -43.260
Base-Backbone interact. energy: -0.263
local terms energy: -64.685222
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -20.762
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -318.272919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.272919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.272919 (E_RNA)
where:
Base-Base interactions energy: -210.533
where: short stacking energy: -100.486
Base-Backbone interact. energy: -0.378
local terms energy: -107.361701
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -23.759
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -20.217
tors. eta vs tors. theta energy: -23.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -300.444490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.444490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.444490 (E_RNA)
where:
Base-Base interactions energy: -189.352
where: short stacking energy: -92.761
Base-Backbone interact. energy: 0.030
local terms energy: -111.122350
where:
bonds (distance) C4'-P energy: -24.779
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -23.084
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -27.067
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: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -255.880449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.880449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.880449 (E_RNA)
where:
Base-Base interactions energy: -164.977
where: short stacking energy: -76.929
Base-Backbone interact. energy: 0.972
local terms energy: -91.875821
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -23.872
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -18.652
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: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -267.090869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.090869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.090869 (E_RNA)
where:
Base-Base interactions energy: -166.811
where: short stacking energy: -82.978
Base-Backbone interact. energy: -1.970
local terms energy: -98.310807
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -21.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -265.912999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.912999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.912999 (E_RNA)
where:
Base-Base interactions energy: -175.840
where: short stacking energy: -78.899
Base-Backbone interact. energy: -0.422
local terms energy: -89.650978
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -20.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -224.298828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.298828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.298828 (E_RNA)
where:
Base-Base interactions energy: -151.407
where: short stacking energy: -69.586
Base-Backbone interact. energy: 1.171
local terms energy: -74.063135
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -162.643476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.643476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.643476 (E_RNA)
where:
Base-Base interactions energy: -86.956
where: short stacking energy: -37.273
Base-Backbone interact. energy: -0.907
local terms energy: -74.780576
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -20.004
flat angles P-C4'-P energy: -13.795
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: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -139.999116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.999116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.999116 (E_RNA)
where:
Base-Base interactions energy: -83.201
where: short stacking energy: -53.775
Base-Backbone interact. energy: 1.350
local terms energy: -58.147691
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -1.916
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: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -106.274746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.274746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.274746 (E_RNA)
where:
Base-Base interactions energy: -31.548
where: short stacking energy: -26.561
Base-Backbone interact. energy: -0.489
local terms energy: -74.237480
where:
bonds (distance) C4'-P energy: -22.819
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -2.878
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: 2
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -107.565800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.565800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.565800 (E_RNA)
where:
Base-Base interactions energy: -49.181
where: short stacking energy: -41.026
Base-Backbone interact. energy: -0.140
local terms energy: -58.245522
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -3.148
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -322.266414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.266414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.266414 (E_RNA)
where:
Base-Base interactions energy: -218.731
where: short stacking energy: -95.417
Base-Backbone interact. energy: -0.932
local terms energy: -102.603457
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -299.224558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.224558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.224558 (E_RNA)
where:
Base-Base interactions energy: -198.495
where: short stacking energy: -91.615
Base-Backbone interact. energy: -0.174
local terms energy: -100.555164
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -25.857
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -22.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -248.797382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.797382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.797382 (E_RNA)
where:
Base-Base interactions energy: -159.430
where: short stacking energy: -74.812
Base-Backbone interact. energy: -1.162
local terms energy: -88.204837
where:
bonds (distance) C4'-P energy: -20.308
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -15.751
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: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -259.636072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.636072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.636072 (E_RNA)
where:
Base-Base interactions energy: -171.296
where: short stacking energy: -78.147
Base-Backbone interact. energy: -0.871
local terms energy: -87.469215
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -23.223
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -22.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -227.505178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.505178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.505178 (E_RNA)
where:
Base-Base interactions energy: -137.325
where: short stacking energy: -70.043
Base-Backbone interact. energy: -0.198
local terms energy: -89.982324
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -17.893
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: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -215.176406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.176406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.176406 (E_RNA)
where:
Base-Base interactions energy: -129.759
where: short stacking energy: -63.965
Base-Backbone interact. energy: -0.417
local terms energy: -85.000448
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -145.197101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.197101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.197101 (E_RNA)
where:
Base-Base interactions energy: -69.425
where: short stacking energy: -53.736
Base-Backbone interact. energy: 0.375
local terms energy: -76.146900
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -10.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -188.689569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.689569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.689569 (E_RNA)
where:
Base-Base interactions energy: -122.031
where: short stacking energy: -59.781
Base-Backbone interact. energy: -0.896
local terms energy: -65.762529
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -14.565
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: 2
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -123.234252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.234252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.234252 (E_RNA)
where:
Base-Base interactions energy: -50.725
where: short stacking energy: -46.539
Base-Backbone interact. energy: -0.007
local terms energy: -72.502204
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -22.817
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: -7.293
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: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -107.637010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.637010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.637010 (E_RNA)
where:
Base-Base interactions energy: -48.719
where: short stacking energy: -43.249
Base-Backbone interact. energy: -0.325
local terms energy: -58.592263
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -9.715
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -9.822
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: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -328.863307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.863307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.863307 (E_RNA)
where:
Base-Base interactions energy: -223.517
where: short stacking energy: -93.769
Base-Backbone interact. energy: -0.502
local terms energy: -104.844651
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -23.341
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -25.623
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: 2, replica: 10
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -299.785909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.785909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.785909 (E_RNA)
where:
Base-Base interactions energy: -199.118
where: short stacking energy: -94.105
Base-Backbone interact. energy: -0.083
local terms energy: -100.585032
where:
bonds (distance) C4'-P energy: -21.865
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -22.819
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -24.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -248.050246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.050246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.050246 (E_RNA)
where:
Base-Base interactions energy: -155.247
where: short stacking energy: -77.787
Base-Backbone interact. energy: -1.308
local terms energy: -91.495032
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -21.866
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: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -266.966482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.966482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.966482 (E_RNA)
where:
Base-Base interactions energy: -162.615
where: short stacking energy: -81.411
Base-Backbone interact. energy: -0.721
local terms energy: -103.630732
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -19.981
tors. eta vs tors. theta energy: -26.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -243.594345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.594345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.594345 (E_RNA)
where:
Base-Base interactions energy: -144.375
where: short stacking energy: -78.105
Base-Backbone interact. energy: -0.010
local terms energy: -99.209705
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -21.814
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -26.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -217.256828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.256828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.256828 (E_RNA)
where:
Base-Base interactions energy: -150.302
where: short stacking energy: -67.258
Base-Backbone interact. energy: 1.176
local terms energy: -68.131196
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -9.816
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: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -118.970712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.970712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.970712 (E_RNA)
where:
Base-Base interactions energy: -57.531
where: short stacking energy: -51.770
Base-Backbone interact. energy: -0.307
local terms energy: -61.132115
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -134.530169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.530169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.530169 (E_RNA)
where:
Base-Base interactions energy: -67.774
where: short stacking energy: -43.805
Base-Backbone interact. energy: -0.112
local terms energy: -66.644432
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -24.290
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -7.281
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: 2
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -120.448702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.448702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.448702 (E_RNA)
where:
Base-Base interactions energy: -61.339
where: short stacking energy: -34.121
Base-Backbone interact. energy: -0.596
local terms energy: -58.514060
where:
bonds (distance) C4'-P energy: -5.958
bonds (distance) P-C4' energy: -23.119
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -107.462701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.462701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.462701 (E_RNA)
where:
Base-Base interactions energy: -50.771
where: short stacking energy: -34.771
Base-Backbone interact. energy: -0.273
local terms energy: -56.419212
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -19.955
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -315.283289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.283289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.283289 (E_RNA)
where:
Base-Base interactions energy: -211.525
where: short stacking energy: -95.964
Base-Backbone interact. energy: -0.073
local terms energy: -103.684994
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -19.180
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: 2, replica: 10
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -301.460314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.460314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.460314 (E_RNA)
where:
Base-Base interactions energy: -192.440
where: short stacking energy: -89.786
Base-Backbone interact. energy: -0.931
local terms energy: -108.089371
where:
bonds (distance) C4'-P energy: -21.717
bonds (distance) P-C4' energy: -20.857
flat angles C4'-P-C4' energy: -24.095
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -23.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -268.030950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.030950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.030950 (E_RNA)
where:
Base-Base interactions energy: -167.508
where: short stacking energy: -79.866
Base-Backbone interact. energy: -0.214
local terms energy: -100.308231
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -19.871
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -24.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -240.006709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.006709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.006709 (E_RNA)
where:
Base-Base interactions energy: -143.950
where: short stacking energy: -73.260
Base-Backbone interact. energy: -1.015
local terms energy: -95.041674
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -219.339607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.339607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.339607 (E_RNA)
where:
Base-Base interactions energy: -134.321
where: short stacking energy: -57.874
Base-Backbone interact. energy: -1.322
local terms energy: -83.696767
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -229.520760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.520760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.520760 (E_RNA)
where:
Base-Base interactions energy: -150.510
where: short stacking energy: -69.474
Base-Backbone interact. energy: -0.287
local terms energy: -78.724525
where:
bonds (distance) C4'-P energy: -23.895
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -18.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -122.497439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.497439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.497439 (E_RNA)
where:
Base-Base interactions energy: -51.049
where: short stacking energy: -51.049
Base-Backbone interact. energy: -0.031
local terms energy: -71.418050
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -114.018440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.018440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.018440 (E_RNA)
where:
Base-Base interactions energy: -44.911
where: short stacking energy: -41.723
Base-Backbone interact. energy: -0.173
local terms energy: -68.934681
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -10.216
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: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -101.874665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.874665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.874665 (E_RNA)
where:
Base-Base interactions energy: -30.981
where: short stacking energy: -30.897
Base-Backbone interact. energy: -0.015
local terms energy: -70.878885
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -104.712933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.712933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.712933 (E_RNA)
where:
Base-Base interactions energy: -54.661
where: short stacking energy: -35.832
Base-Backbone interact. energy: 0.688
local terms energy: -50.740109
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -8.589
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -315.934303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.934303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.934303 (E_RNA)
where:
Base-Base interactions energy: -208.721
where: short stacking energy: -101.726
Base-Backbone interact. energy: -0.943
local terms energy: -106.270565
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -25.629
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -29.953
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: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -294.935098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.935098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.935098 (E_RNA)
where:
Base-Base interactions energy: -197.945
where: short stacking energy: -94.637
Base-Backbone interact. energy: 2.131
local terms energy: -99.121322
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -23.536
flat angles P-C4'-P energy: -15.602
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: 3, replica: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -278.938077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.938077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.938077 (E_RNA)
where:
Base-Base interactions energy: -181.003
where: short stacking energy: -85.811
Base-Backbone interact. energy: -1.085
local terms energy: -96.849960
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -19.071
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -13.594
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: 4, replica: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -258.160664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.160664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.160664 (E_RNA)
where:
Base-Base interactions energy: -157.748
where: short stacking energy: -85.578
Base-Backbone interact. energy: -0.314
local terms energy: -100.097696
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -11.235
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: 5, replica: 1
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -221.050650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.050650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.050650 (E_RNA)
where:
Base-Base interactions energy: -142.928
where: short stacking energy: -60.047
Base-Backbone interact. energy: -0.133
local terms energy: -77.989410
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -247.076618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.076618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.076618 (E_RNA)
where:
Base-Base interactions energy: -161.355
where: short stacking energy: -77.953
Base-Backbone interact. energy: -0.914
local terms energy: -84.807212
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -21.656
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: 7
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -133.681273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.681273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.681273 (E_RNA)
where:
Base-Base interactions energy: -54.914
where: short stacking energy: -39.119
Base-Backbone interact. energy: 0.069
local terms energy: -78.837243
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -117.150841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.150841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.150841 (E_RNA)
where:
Base-Base interactions energy: -41.855
where: short stacking energy: -42.553
Base-Backbone interact. energy: -0.186
local terms energy: -75.110370
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -9.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -112.473361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.473361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.473361 (E_RNA)
where:
Base-Base interactions energy: -49.032
where: short stacking energy: -32.526
Base-Backbone interact. energy: -0.361
local terms energy: -63.079936
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: 3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -115.928623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.928623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.928623 (E_RNA)
where:
Base-Base interactions energy: -57.297
where: short stacking energy: -33.600
Base-Backbone interact. energy: -0.067
local terms energy: -58.564462
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: 4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -318.408026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.408026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.408026 (E_RNA)
where:
Base-Base interactions energy: -209.253
where: short stacking energy: -92.838
Base-Backbone interact. energy: -0.928
local terms energy: -108.227101
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -24.618
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -25.542
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: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -309.485648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.485648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.485648 (E_RNA)
where:
Base-Base interactions energy: -204.050
where: short stacking energy: -84.418
Base-Backbone interact. energy: -0.968
local terms energy: -104.467564
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -20.346
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -17.790
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: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -256.390207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.390207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.390207 (E_RNA)
where:
Base-Base interactions energy: -160.323
where: short stacking energy: -87.798
Base-Backbone interact. energy: 0.141
local terms energy: -96.207672
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -21.071
flat angles P-C4'-P energy: -16.782
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: 4, replica: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -257.012073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.012073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.012073 (E_RNA)
where:
Base-Base interactions energy: -163.686
where: short stacking energy: -86.086
Base-Backbone interact. energy: 0.355
local terms energy: -93.680283
where:
bonds (distance) C4'-P energy: -18.375
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -22.197
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: 182
Temperature: 1.100000
Total energy: -262.931677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.931677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.931677 (E_RNA)
where:
Base-Base interactions energy: -167.924
where: short stacking energy: -81.368
Base-Backbone interact. energy: -0.098
local terms energy: -94.909459
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -24.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -220.319285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.319285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.319285 (E_RNA)
where:
Base-Base interactions energy: -132.607
where: short stacking energy: -74.952
Base-Backbone interact. energy: -0.470
local terms energy: -87.242328
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -20.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -131.918705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.918705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.918705 (E_RNA)
where:
Base-Base interactions energy: -63.078
where: short stacking energy: -55.254
Base-Backbone interact. energy: -0.019
local terms energy: -68.821016
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -130.399470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.399470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.399470 (E_RNA)
where:
Base-Base interactions energy: -61.410
where: short stacking energy: -47.745
Base-Backbone interact. energy: -0.389
local terms energy: -68.600612
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -5.834
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: 2
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -105.775536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.775536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.775536 (E_RNA)
where:
Base-Base interactions energy: -45.730
where: short stacking energy: -29.152
Base-Backbone interact. energy: -0.320
local terms energy: -59.725383
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: 2.025
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: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -117.909398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.909398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.909398 (E_RNA)
where:
Base-Base interactions energy: -71.055
where: short stacking energy: -47.470
Base-Backbone interact. energy: -0.412
local terms energy: -46.442394
where:
bonds (distance) C4'-P energy: -7.338
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: 0.643
tors. eta vs tors. theta energy: -7.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -326.672703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.672703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.672703 (E_RNA)
where:
Base-Base interactions energy: -228.597
where: short stacking energy: -97.058
Base-Backbone interact. energy: -0.208
local terms energy: -97.867682
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -19.948
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -305.520692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.520692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.520692 (E_RNA)
where:
Base-Base interactions energy: -203.849
where: short stacking energy: -89.031
Base-Backbone interact. energy: -0.696
local terms energy: -100.975505
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -271.559460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.559460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.559460 (E_RNA)
where:
Base-Base interactions energy: -174.510
where: short stacking energy: -81.063
Base-Backbone interact. energy: -2.006
local terms energy: -95.042889
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -24.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -253.169570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.169570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.169570 (E_RNA)
where:
Base-Base interactions energy: -157.278
where: short stacking energy: -76.751
Base-Backbone interact. energy: -0.850
local terms energy: -95.041573
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -25.791
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -265.437647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.437647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.437647 (E_RNA)
where:
Base-Base interactions energy: -168.142
where: short stacking energy: -83.752
Base-Backbone interact. energy: 1.592
local terms energy: -98.887806
where:
bonds (distance) C4'-P energy: -19.038
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -25.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -234.641790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.641790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.641790 (E_RNA)
where:
Base-Base interactions energy: -148.650
where: short stacking energy: -77.317
Base-Backbone interact. energy: -0.591
local terms energy: -85.401246
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -157.242399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.242399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.242399 (E_RNA)
where:
Base-Base interactions energy: -76.709
where: short stacking energy: -44.561
Base-Backbone interact. energy: -0.725
local terms energy: -79.808164
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -25.781
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -119.415139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.415139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.415139 (E_RNA)
where:
Base-Base interactions energy: -51.123
where: short stacking energy: -48.548
Base-Backbone interact. energy: -0.122
local terms energy: -68.170199
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -131.426519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.426519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.426519 (E_RNA)
where:
Base-Base interactions energy: -57.015
where: short stacking energy: -45.796
Base-Backbone interact. energy: 0.759
local terms energy: -75.170693
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -8.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -103.614475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.614475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.614475 (E_RNA)
where:
Base-Base interactions energy: -28.456
where: short stacking energy: -28.187
Base-Backbone interact. energy: -0.716
local terms energy: -74.442273
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -319.661362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.661362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.661362 (E_RNA)
where:
Base-Base interactions energy: -215.702
where: short stacking energy: -89.132
Base-Backbone interact. energy: -0.148
local terms energy: -103.810840
where:
bonds (distance) C4'-P energy: -22.273
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -23.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -316.081857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.081857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.081857 (E_RNA)
where:
Base-Base interactions energy: -205.662
where: short stacking energy: -98.372
Base-Backbone interact. energy: -0.108
local terms energy: -110.311824
where:
bonds (distance) C4'-P energy: -21.535
bonds (distance) P-C4' energy: -24.291
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -18.524
tors. eta vs tors. theta energy: -22.581
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: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -249.891942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.891942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.891942 (E_RNA)
where:
Base-Base interactions energy: -159.647
where: short stacking energy: -77.745
Base-Backbone interact. energy: -0.492
local terms energy: -89.753568
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -14.919
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: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -245.564791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.564791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.564791 (E_RNA)
where:
Base-Base interactions energy: -158.333
where: short stacking energy: -84.327
Base-Backbone interact. energy: -0.246
local terms energy: -86.986023
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -21.479
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -22.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -261.260989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.260989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.260989 (E_RNA)
where:
Base-Base interactions energy: -166.203
where: short stacking energy: -88.743
Base-Backbone interact. energy: -0.498
local terms energy: -94.560576
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -13.295
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: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -216.104189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.104189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.104189 (E_RNA)
where:
Base-Base interactions energy: -136.179
where: short stacking energy: -63.819
Base-Backbone interact. energy: 0.106
local terms energy: -80.030698
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -12.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -163.347138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.347138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.347138 (E_RNA)
where:
Base-Base interactions energy: -95.888
where: short stacking energy: -60.493
Base-Backbone interact. energy: -0.150
local terms energy: -67.309260
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -9.626
flat angles C4'-P-C4' energy: -21.046
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -13.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -140.613684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.613684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.613684 (E_RNA)
where:
Base-Base interactions energy: -62.910
where: short stacking energy: -40.575
Base-Backbone interact. energy: -0.183
local terms energy: -77.519920
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -6.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -103.953120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.953120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.953120 (E_RNA)
where:
Base-Base interactions energy: -42.255
where: short stacking energy: -39.047
Base-Backbone interact. energy: -0.751
local terms energy: -60.947087
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -99.731381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.731381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.731381 (E_RNA)
where:
Base-Base interactions energy: -35.891
where: short stacking energy: -34.974
Base-Backbone interact. energy: -0.548
local terms energy: -63.292597
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -323.685618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.685618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.685618 (E_RNA)
where:
Base-Base interactions energy: -223.375
where: short stacking energy: -94.495
Base-Backbone interact. energy: -1.180
local terms energy: -99.130895
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: -24.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -311.229230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.229230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.229230 (E_RNA)
where:
Base-Base interactions energy: -206.882
where: short stacking energy: -95.988
Base-Backbone interact. energy: -1.308
local terms energy: -103.039242
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -23.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -260.690457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.690457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.690457 (E_RNA)
where:
Base-Base interactions energy: -165.514
where: short stacking energy: -80.182
Base-Backbone interact. energy: 1.344
local terms energy: -96.519864
where:
bonds (distance) C4'-P energy: -20.549
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -19.328
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: 185
Temperature: 1.050000
Total energy: -263.413740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.413740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.413740 (E_RNA)
where:
Base-Base interactions energy: -163.096
where: short stacking energy: -84.814
Base-Backbone interact. energy: -1.368
local terms energy: -98.950353
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -20.591
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -22.197
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: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -248.592399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.592399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.592399 (E_RNA)
where:
Base-Base interactions energy: -152.907
where: short stacking energy: -90.905
Base-Backbone interact. energy: -0.862
local terms energy: -94.823289
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -25.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -228.989908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.989908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.989908 (E_RNA)
where:
Base-Base interactions energy: -157.025
where: short stacking energy: -56.474
Base-Backbone interact. energy: -0.447
local terms energy: -71.517891
where:
bonds (distance) C4'-P energy: -20.512
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -14.384
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: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -177.678515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.678515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.678515 (E_RNA)
where:
Base-Base interactions energy: -104.809
where: short stacking energy: -57.088
Base-Backbone interact. energy: 1.817
local terms energy: -74.686457
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -18.925
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -8.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -114.000352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.000352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.000352 (E_RNA)
where:
Base-Base interactions energy: -47.331
where: short stacking energy: -36.205
Base-Backbone interact. energy: -0.155
local terms energy: -66.513921
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -120.392925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.392925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.392925 (E_RNA)
where:
Base-Base interactions energy: -53.660
where: short stacking energy: -51.265
Base-Backbone interact. energy: -0.359
local terms energy: -66.373998
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -21.536
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -110.121469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.121469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.121469 (E_RNA)
where:
Base-Base interactions energy: -38.790
where: short stacking energy: -33.786
Base-Backbone interact. energy: -0.321
local terms energy: -71.009697
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -11.980
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: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -321.589488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.589488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.589488 (E_RNA)
where:
Base-Base interactions energy: -218.695
where: short stacking energy: -97.375
Base-Backbone interact. energy: -2.662
local terms energy: -100.232247
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -22.368
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -25.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -309.423349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.423349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.423349 (E_RNA)
where:
Base-Base interactions energy: -207.572
where: short stacking energy: -96.453
Base-Backbone interact. energy: 0.958
local terms energy: -102.809699
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -23.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -290.021698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.021698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.021698 (E_RNA)
where:
Base-Base interactions energy: -188.372
where: short stacking energy: -86.080
Base-Backbone interact. energy: -0.979
local terms energy: -100.670681
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -25.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -250.084793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.084793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.084793 (E_RNA)
where:
Base-Base interactions energy: -160.233
where: short stacking energy: -83.676
Base-Backbone interact. energy: 0.619
local terms energy: -90.471018
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -258.889382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.889382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.889382 (E_RNA)
where:
Base-Base interactions energy: -167.723
where: short stacking energy: -90.006
Base-Backbone interact. energy: -0.006
local terms energy: -91.160268
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -26.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -226.067678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.067678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.067678 (E_RNA)
where:
Base-Base interactions energy: -148.728
where: short stacking energy: -66.762
Base-Backbone interact. energy: -0.075
local terms energy: -77.265239
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -7.250
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: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -125.100076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.100076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.100076 (E_RNA)
where:
Base-Base interactions energy: -55.685
where: short stacking energy: -42.502
Base-Backbone interact. energy: -1.392
local terms energy: -68.022861
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -6.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -169.799329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.799329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.799329 (E_RNA)
where:
Base-Base interactions energy: -93.757
where: short stacking energy: -56.091
Base-Backbone interact. energy: -0.312
local terms energy: -75.730092
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -13.392
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: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -115.398656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.398656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.398656 (E_RNA)
where:
Base-Base interactions energy: -49.138
where: short stacking energy: -49.138
Base-Backbone interact. energy: -0.042
local terms energy: -66.219008
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -107.881247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.881247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.881247 (E_RNA)
where:
Base-Base interactions energy: -44.450
where: short stacking energy: -42.282
Base-Backbone interact. energy: -0.263
local terms energy: -63.167420
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -10.889
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)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -327.921839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.921839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.921839 (E_RNA)
where:
Base-Base interactions energy: -215.019
where: short stacking energy: -97.375
Base-Backbone interact. energy: -3.261
local terms energy: -109.641209
where:
bonds (distance) C4'-P energy: -21.661
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -22.642
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -30.839
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: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -275.462279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.462279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.462279 (E_RNA)
where:
Base-Base interactions energy: -174.637
where: short stacking energy: -84.741
Base-Backbone interact. energy: -0.793
local terms energy: -100.032375
where:
bonds (distance) C4'-P energy: -23.099
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -21.990
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -20.242
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: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -318.524785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.524785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.524785 (E_RNA)
where:
Base-Base interactions energy: -210.608
where: short stacking energy: -102.429
Base-Backbone interact. energy: -0.544
local terms energy: -107.373175
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -26.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -279.905719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.905719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.905719 (E_RNA)
where:
Base-Base interactions energy: -182.444
where: short stacking energy: -88.067
Base-Backbone interact. energy: -0.061
local terms energy: -97.400510
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -29.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -241.522883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.522883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.522883 (E_RNA)
where:
Base-Base interactions energy: -153.538
where: short stacking energy: -62.109
Base-Backbone interact. energy: -3.068
local terms energy: -84.917109
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -19.223
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -9.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -194.403388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.403388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.403388 (E_RNA)
where:
Base-Base interactions energy: -124.192
where: short stacking energy: -55.121
Base-Backbone interact. energy: -2.259
local terms energy: -67.952960
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -11.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -113.912292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.912292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.912292 (E_RNA)
where:
Base-Base interactions energy: -45.974
where: short stacking energy: -34.441
Base-Backbone interact. energy: -0.164
local terms energy: -67.773397
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -5.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -112.731454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.731454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.731454 (E_RNA)
where:
Base-Base interactions energy: -40.937
where: short stacking energy: -41.662
Base-Backbone interact. energy: 0.598
local terms energy: -72.391787
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -7.698
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: 5
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -111.339561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.339561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.339561 (E_RNA)
where:
Base-Base interactions energy: -33.103
where: short stacking energy: -30.452
Base-Backbone interact. energy: -0.066
local terms energy: -78.171091
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -21.127
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -111.416989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.416989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.416989 (E_RNA)
where:
Base-Base interactions energy: -41.163
where: short stacking energy: -29.939
Base-Backbone interact. energy: 1.397
local terms energy: -71.651370
where:
bonds (distance) C4'-P energy: -19.095
bonds (distance) P-C4' energy: -19.990
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: 0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -313.121416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.121416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.121416 (E_RNA)
where:
Base-Base interactions energy: -206.781
where: short stacking energy: -88.538
Base-Backbone interact. energy: -0.383
local terms energy: -105.957424
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -20.755
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -18.946
tors. eta vs tors. theta energy: -26.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -292.720996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.720996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.720996 (E_RNA)
where:
Base-Base interactions energy: -185.653
where: short stacking energy: -95.842
Base-Backbone interact. energy: -0.255
local terms energy: -106.813378
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -24.432
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -27.882
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: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -290.431390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.431390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.431390 (E_RNA)
where:
Base-Base interactions energy: -181.818
where: short stacking energy: -93.301
Base-Backbone interact. energy: -0.217
local terms energy: -108.396307
where:
bonds (distance) C4'-P energy: -23.568
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -26.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -317.708839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.708839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.708839 (E_RNA)
where:
Base-Base interactions energy: -219.574
where: short stacking energy: -93.628
Base-Backbone interact. energy: -0.355
local terms energy: -97.780232
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -23.996
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -24.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -219.446287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.446287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.446287 (E_RNA)
where:
Base-Base interactions energy: -132.740
where: short stacking energy: -64.006
Base-Backbone interact. energy: 0.424
local terms energy: -87.129800
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -15.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -195.395228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.395228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.395228 (E_RNA)
where:
Base-Base interactions energy: -110.594
where: short stacking energy: -60.459
Base-Backbone interact. energy: -0.333
local terms energy: -84.468458
where:
bonds (distance) C4'-P energy: -18.026
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -16.388
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: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -108.806749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.806749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.806749 (E_RNA)
where:
Base-Base interactions energy: -42.223
where: short stacking energy: -42.223
Base-Backbone interact. energy: -0.177
local terms energy: -66.406811
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -118.810058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.810058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.810058 (E_RNA)
where:
Base-Base interactions energy: -40.503
where: short stacking energy: -40.503
Base-Backbone interact. energy: -0.043
local terms energy: -78.264813
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -11.483
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: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -115.357576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.357576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.357576 (E_RNA)
where:
Base-Base interactions energy: -46.074
where: short stacking energy: -38.767
Base-Backbone interact. energy: 0.243
local terms energy: -69.526203
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -4.127
tors. eta vs tors. theta energy: -1.597
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: 10, replica: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -112.949201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.949201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.949201 (E_RNA)
where:
Base-Base interactions energy: -53.299
where: short stacking energy: -46.724
Base-Backbone interact. energy: -0.730
local terms energy: -58.920770
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -326.702594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.702594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.702594 (E_RNA)
where:
Base-Base interactions energy: -217.159
where: short stacking energy: -104.998
Base-Backbone interact. energy: -0.382
local terms energy: -109.161706
where:
bonds (distance) C4'-P energy: -22.192
bonds (distance) P-C4' energy: -24.719
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -26.323
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: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -287.044631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.044631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.044631 (E_RNA)
where:
Base-Base interactions energy: -187.964
where: short stacking energy: -91.452
Base-Backbone interact. energy: -0.233
local terms energy: -98.848138
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -20.726
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -23.863
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: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -277.064203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.064203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.064203 (E_RNA)
where:
Base-Base interactions energy: -179.809
where: short stacking energy: -86.712
Base-Backbone interact. energy: -0.024
local terms energy: -97.230788
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -28.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -288.141707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.141707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.141707 (E_RNA)
where:
Base-Base interactions energy: -190.106
where: short stacking energy: -90.926
Base-Backbone interact. energy: -0.231
local terms energy: -97.805038
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -19.604
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: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -210.748861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.748861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.748861 (E_RNA)
where:
Base-Base interactions energy: -128.173
where: short stacking energy: -64.629
Base-Backbone interact. energy: -0.121
local terms energy: -82.455255
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -25.132
flat angles C4'-P-C4' energy: -19.597
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -15.718
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: 6, replica: 1
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -191.473423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.473423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.473423 (E_RNA)
where:
Base-Base interactions energy: -116.066
where: short stacking energy: -67.975
Base-Backbone interact. energy: -0.065
local terms energy: -75.342914
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -121.094256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.094256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.094256 (E_RNA)
where:
Base-Base interactions energy: -46.112
where: short stacking energy: -46.112
Base-Backbone interact. energy: -0.184
local terms energy: -74.798889
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -134.418094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.418094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.418094 (E_RNA)
where:
Base-Base interactions energy: -68.661
where: short stacking energy: -62.642
Base-Backbone interact. energy: -0.102
local terms energy: -65.655227
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -9.446
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: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -104.911082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.911082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.911082 (E_RNA)
where:
Base-Base interactions energy: -38.433
where: short stacking energy: -38.178
Base-Backbone interact. energy: 0.908
local terms energy: -67.385743
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -98.094737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.094737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.094737 (E_RNA)
where:
Base-Base interactions energy: -35.288
where: short stacking energy: -32.617
Base-Backbone interact. energy: -0.365
local terms energy: -62.441768
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -1.099
tors. eta vs tors. theta energy: -3.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -329.286758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.286758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.286758 (E_RNA)
where:
Base-Base interactions energy: -218.033
where: short stacking energy: -96.326
Base-Backbone interact. energy: -0.738
local terms energy: -110.515362
where:
bonds (distance) C4'-P energy: -22.229
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -23.120
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -27.855
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: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -301.490784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.490784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.490784 (E_RNA)
where:
Base-Base interactions energy: -198.036
where: short stacking energy: -93.553
Base-Backbone interact. energy: -0.734
local terms energy: -102.720906
where:
bonds (distance) C4'-P energy: -24.371
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -24.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -314.217807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.217807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.217807 (E_RNA)
where:
Base-Base interactions energy: -213.835
where: short stacking energy: -93.709
Base-Backbone interact. energy: -1.144
local terms energy: -99.238848
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -21.502
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -23.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -274.717213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.717213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.717213 (E_RNA)
where:
Base-Base interactions energy: -179.224
where: short stacking energy: -91.147
Base-Backbone interact. energy: -0.449
local terms energy: -95.043762
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -25.491
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: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -229.831539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.831539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.831539 (E_RNA)
where:
Base-Base interactions energy: -133.592
where: short stacking energy: -71.286
Base-Backbone interact. energy: -0.610
local terms energy: -95.629289
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -21.043
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: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -174.525893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.525893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.525893 (E_RNA)
where:
Base-Base interactions energy: -91.611
where: short stacking energy: -54.415
Base-Backbone interact. energy: -1.351
local terms energy: -81.563802
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -106.673156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.673156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.673156 (E_RNA)
where:
Base-Base interactions energy: -44.643
where: short stacking energy: -34.130
Base-Backbone interact. energy: 0.264
local terms energy: -62.294131
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -140.668144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.668144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.668144 (E_RNA)
where:
Base-Base interactions energy: -57.566
where: short stacking energy: -51.917
Base-Backbone interact. energy: -0.169
local terms energy: -82.933208
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -10.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -118.256858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.256858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.256858 (E_RNA)
where:
Base-Base interactions energy: -67.685
where: short stacking energy: -33.397
Base-Backbone interact. energy: 0.184
local terms energy: -50.755201
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -9.441
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -111.871010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.871010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.871010 (E_RNA)
where:
Base-Base interactions energy: -63.246
where: short stacking energy: -55.964
Base-Backbone interact. energy: -0.425
local terms energy: -48.200085
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -1.198
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: 1, replica: 10
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -318.597673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.597673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.597673 (E_RNA)
where:
Base-Base interactions energy: -207.968
where: short stacking energy: -98.651
Base-Backbone interact. energy: -0.186
local terms energy: -110.443499
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -28.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -290.960072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.960072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.960072 (E_RNA)
where:
Base-Base interactions energy: -185.673
where: short stacking energy: -85.629
Base-Backbone interact. energy: -1.169
local terms energy: -104.118980
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -25.962
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: 191
Temperature: 1.000000
Total energy: -294.904237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.904237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.904237 (E_RNA)
where:
Base-Base interactions energy: -205.133
where: short stacking energy: -85.656
Base-Backbone interact. energy: -0.325
local terms energy: -89.445626
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -10.451
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: 4, replica: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -273.560111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.560111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.560111 (E_RNA)
where:
Base-Base interactions energy: -175.141
where: short stacking energy: -92.010
Base-Backbone interact. energy: -0.001
local terms energy: -98.418551
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -18.202
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: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -233.661944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.661944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.661944 (E_RNA)
where:
Base-Base interactions energy: -146.561
where: short stacking energy: -81.428
Base-Backbone interact. energy: -1.203
local terms energy: -85.897994
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -176.162718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.162718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.162718 (E_RNA)
where:
Base-Base interactions energy: -92.698
where: short stacking energy: -59.800
Base-Backbone interact. energy: -1.120
local terms energy: -82.344641
where:
bonds (distance) C4'-P energy: -22.917
bonds (distance) P-C4' energy: -21.845
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -118.094050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.094050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.094050 (E_RNA)
where:
Base-Base interactions energy: -45.913
where: short stacking energy: -41.827
Base-Backbone interact. energy: -0.896
local terms energy: -71.284573
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -17.303
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)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -143.931909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.931909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.931909 (E_RNA)
where:
Base-Base interactions energy: -76.477
where: short stacking energy: -41.169
Base-Backbone interact. energy: -0.726
local terms energy: -66.728334
where:
bonds (distance) C4'-P energy: -20.026
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -113.537422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.537422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.537422 (E_RNA)
where:
Base-Base interactions energy: -37.543
where: short stacking energy: -37.528
Base-Backbone interact. energy: -0.846
local terms energy: -75.148769
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -103.127905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.127905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.127905 (E_RNA)
where:
Base-Base interactions energy: -37.673
where: short stacking energy: -37.673
Base-Backbone interact. energy: -0.007
local terms energy: -65.448527
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -5.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -327.091728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.091728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.091728 (E_RNA)
where:
Base-Base interactions energy: -224.537
where: short stacking energy: -102.114
Base-Backbone interact. energy: 0.601
local terms energy: -103.155601
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -16.827
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: 2, replica: 3
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -297.275307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.275307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.275307 (E_RNA)
where:
Base-Base interactions energy: -191.944
where: short stacking energy: -96.785
Base-Backbone interact. energy: -0.898
local terms energy: -104.433912
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -26.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -276.020740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.020740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.020740 (E_RNA)
where:
Base-Base interactions energy: -174.028
where: short stacking energy: -94.603
Base-Backbone interact. energy: -0.301
local terms energy: -101.691458
where:
bonds (distance) C4'-P energy: -23.005
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -23.214
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: 9
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -291.196186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.196186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.196186 (E_RNA)
where:
Base-Base interactions energy: -186.290
where: short stacking energy: -92.048
Base-Backbone interact. energy: -0.379
local terms energy: -104.526281
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -17.209
tors. eta vs tors. theta energy: -24.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -250.326445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.326445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.326445 (E_RNA)
where:
Base-Base interactions energy: -155.972
where: short stacking energy: -78.531
Base-Backbone interact. energy: -0.676
local terms energy: -93.678596
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -23.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -189.502972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.502972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.502972 (E_RNA)
where:
Base-Base interactions energy: -100.316
where: short stacking energy: -61.230
Base-Backbone interact. energy: -0.896
local terms energy: -88.291699
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -14.750
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: 2
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -116.559552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.559552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.559552 (E_RNA)
where:
Base-Base interactions energy: -46.232
where: short stacking energy: -37.808
Base-Backbone interact. energy: 0.006
local terms energy: -70.333126
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: 4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -130.189693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.189693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.189693 (E_RNA)
where:
Base-Base interactions energy: -64.905
where: short stacking energy: -49.223
Base-Backbone interact. energy: -0.544
local terms energy: -64.740779
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -18.475
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -8.677
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: 192
Temperature: 1.300000
Total energy: -106.169392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.169392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.169392 (E_RNA)
where:
Base-Base interactions energy: -45.784
where: short stacking energy: -33.658
Base-Backbone interact. energy: -0.644
local terms energy: -59.741096
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -110.254730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.254730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.254730 (E_RNA)
where:
Base-Base interactions energy: -52.239
where: short stacking energy: -47.395
Base-Backbone interact. energy: -0.260
local terms energy: -57.755504
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: 1.512
tors. eta vs tors. theta energy: -7.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -317.645915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.645915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.645915 (E_RNA)
where:
Base-Base interactions energy: -214.104
where: short stacking energy: -96.249
Base-Backbone interact. energy: -0.488
local terms energy: -103.054165
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -26.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -305.221839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.221839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.221839 (E_RNA)
where:
Base-Base interactions energy: -206.458
where: short stacking energy: -104.154
Base-Backbone interact. energy: -0.049
local terms energy: -98.714610
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -27.463
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: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -263.581333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.581333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.581333 (E_RNA)
where:
Base-Base interactions energy: -165.953
where: short stacking energy: -87.220
Base-Backbone interact. energy: 0.587
local terms energy: -98.215435
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -20.653
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -15.457
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: 4, replica: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -292.910696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.910696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.910696 (E_RNA)
where:
Base-Base interactions energy: -196.308
where: short stacking energy: -86.765
Base-Backbone interact. energy: -0.259
local terms energy: -96.343452
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -24.383
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -23.016
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: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -247.902063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.902063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.902063 (E_RNA)
where:
Base-Base interactions energy: -150.015
where: short stacking energy: -84.667
Base-Backbone interact. energy: -0.285
local terms energy: -97.601211
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -21.967
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: 1
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -194.606647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.606647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.606647 (E_RNA)
where:
Base-Base interactions energy: -119.840
where: short stacking energy: -87.347
Base-Backbone interact. energy: -0.106
local terms energy: -74.660307
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -17.094
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: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -120.452517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.452517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.452517 (E_RNA)
where:
Base-Base interactions energy: -56.003
where: short stacking energy: -42.806
Base-Backbone interact. energy: -0.426
local terms energy: -64.023495
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -20.578
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -12.927
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: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -122.383692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.383692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.383692 (E_RNA)
where:
Base-Base interactions energy: -48.201
where: short stacking energy: -48.014
Base-Backbone interact. energy: -0.257
local terms energy: -73.925736
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -14.276
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: 5
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -140.966831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.966831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.966831 (E_RNA)
where:
Base-Base interactions energy: -83.831
where: short stacking energy: -29.683
Base-Backbone interact. energy: -0.553
local terms energy: -56.583721
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: 0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -107.587049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.587049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.587049 (E_RNA)
where:
Base-Base interactions energy: -46.009
where: short stacking energy: -34.433
Base-Backbone interact. energy: -0.263
local terms energy: -61.315258
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: 0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -298.244819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.244819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.244819 (E_RNA)
where:
Base-Base interactions energy: -182.985
where: short stacking energy: -98.268
Base-Backbone interact. energy: -0.043
local terms energy: -115.216735
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -17.970
tors. eta vs tors. theta energy: -32.186
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: 10
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -324.623960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.623960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.623960 (E_RNA)
where:
Base-Base interactions energy: -219.942
where: short stacking energy: -98.969
Base-Backbone interact. energy: -0.451
local terms energy: -104.230324
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -23.642
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -26.362
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: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -288.306285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.306285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.306285 (E_RNA)
where:
Base-Base interactions energy: -196.181
where: short stacking energy: -89.394
Base-Backbone interact. energy: -0.346
local terms energy: -91.779366
where:
bonds (distance) C4'-P energy: -20.695
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -17.714
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -249.570318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.570318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.570318 (E_RNA)
where:
Base-Base interactions energy: -158.087
where: short stacking energy: -84.711
Base-Backbone interact. energy: -0.058
local terms energy: -91.425493
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -20.534
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -21.654
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: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -255.877694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.877694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.877694 (E_RNA)
where:
Base-Base interactions energy: -158.825
where: short stacking energy: -93.285
Base-Backbone interact. energy: -0.612
local terms energy: -96.440109
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -28.725
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: 1
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -194.158512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.158512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.158512 (E_RNA)
where:
Base-Base interactions energy: -113.063
where: short stacking energy: -61.914
Base-Backbone interact. energy: -0.401
local terms energy: -80.694458
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -21.498
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -11.433
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: 2
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -128.815301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.815301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.815301 (E_RNA)
where:
Base-Base interactions energy: -59.203
where: short stacking energy: -39.356
Base-Backbone interact. energy: -0.309
local terms energy: -69.302717
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -7.048
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: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -110.207029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.207029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.207029 (E_RNA)
where:
Base-Base interactions energy: -37.375
where: short stacking energy: -34.097
Base-Backbone interact. energy: -0.340
local terms energy: -72.491936
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -8.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -109.254098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.254098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.254098 (E_RNA)
where:
Base-Base interactions energy: -51.942
where: short stacking energy: -25.522
Base-Backbone interact. energy: -0.147
local terms energy: -57.165431
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: 0.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -149.543558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.543558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.543558 (E_RNA)
where:
Base-Base interactions energy: -85.002
where: short stacking energy: -37.662
Base-Backbone interact. energy: 1.517
local terms energy: -66.058221
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -13.818
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)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -309.528362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.528362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.528362 (E_RNA)
where:
Base-Base interactions energy: -193.607
where: short stacking energy: -102.677
Base-Backbone interact. energy: -0.269
local terms energy: -115.652595
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -33.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -313.865622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.865622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.865622 (E_RNA)
where:
Base-Base interactions energy: -208.985
where: short stacking energy: -93.617
Base-Backbone interact. energy: -0.212
local terms energy: -104.668666
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -24.971
flat angles P-C4'-P energy: -15.771
tors. eta vs tors. theta energy: -24.883
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: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -284.694887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.694887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.694887 (E_RNA)
where:
Base-Base interactions energy: -191.108
where: short stacking energy: -81.259
Base-Backbone interact. energy: -1.445
local terms energy: -92.141236
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -24.408
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: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -264.653353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.653353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.653353 (E_RNA)
where:
Base-Base interactions energy: -155.131
where: short stacking energy: -95.087
Base-Backbone interact. energy: -0.727
local terms energy: -108.795386
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -31.446
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: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -238.518189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.518189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.518189 (E_RNA)
where:
Base-Base interactions energy: -146.493
where: short stacking energy: -76.083
Base-Backbone interact. energy: -0.073
local terms energy: -91.951920
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -20.544
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: 6, replica: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -187.002649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.002649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.002649 (E_RNA)
where:
Base-Base interactions energy: -106.692
where: short stacking energy: -51.955
Base-Backbone interact. energy: -0.824
local terms energy: -79.487110
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -19.456
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -11.038
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: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -119.853113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.853113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.853113 (E_RNA)
where:
Base-Base interactions energy: -63.364
where: short stacking energy: -37.413
Base-Backbone interact. energy: 2.053
local terms energy: -58.542601
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -115.174528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.174528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.174528 (E_RNA)
where:
Base-Base interactions energy: -46.687
where: short stacking energy: -45.695
Base-Backbone interact. energy: 1.364
local terms energy: -69.851606
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -120.982172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.982172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.982172 (E_RNA)
where:
Base-Base interactions energy: -54.809
where: short stacking energy: -33.289
Base-Backbone interact. energy: -0.261
local terms energy: -65.912005
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -3.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -182.981679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.981679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.981679 (E_RNA)
where:
Base-Base interactions energy: -109.714
where: short stacking energy: -65.863
Base-Backbone interact. energy: -0.202
local terms energy: -73.066077
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -2.895
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -306.570246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.570246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.570246 (E_RNA)
where:
Base-Base interactions energy: -203.151
where: short stacking energy: -83.486
Base-Backbone interact. energy: -0.311
local terms energy: -103.108475
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -23.760
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -24.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -299.499333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.499333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.499333 (E_RNA)
where:
Base-Base interactions energy: -187.756
where: short stacking energy: -109.491
Base-Backbone interact. energy: -0.335
local terms energy: -111.408374
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -25.835
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -34.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -282.343231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.343231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.343231 (E_RNA)
where:
Base-Base interactions energy: -182.426
where: short stacking energy: -84.373
Base-Backbone interact. energy: -0.323
local terms energy: -99.594037
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -19.985
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: 4
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -258.469407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.469407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.469407 (E_RNA)
where:
Base-Base interactions energy: -157.036
where: short stacking energy: -84.095
Base-Backbone interact. energy: -0.190
local terms energy: -101.242669
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -19.095
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: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -233.902796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.902796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.902796 (E_RNA)
where:
Base-Base interactions energy: -141.700
where: short stacking energy: -60.902
Base-Backbone interact. energy: -1.215
local terms energy: -90.987914
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -12.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -183.505297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.505297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.505297 (E_RNA)
where:
Base-Base interactions energy: -101.717
where: short stacking energy: -68.423
Base-Backbone interact. energy: 0.077
local terms energy: -81.866126
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -20.444
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -121.800798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.800798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.800798 (E_RNA)
where:
Base-Base interactions energy: -49.505
where: short stacking energy: -38.637
Base-Backbone interact. energy: -0.099
local terms energy: -72.196744
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -23.673
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -120.305264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.305264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.305264 (E_RNA)
where:
Base-Base interactions energy: -44.193
where: short stacking energy: -39.914
Base-Backbone interact. energy: -0.659
local terms energy: -75.453214
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -21.637
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -5.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -183.689277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.689277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.689277 (E_RNA)
where:
Base-Base interactions energy: -114.481
where: short stacking energy: -58.461
Base-Backbone interact. energy: -0.201
local terms energy: -69.007605
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -8.194
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -123.618856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.618856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.618856 (E_RNA)
where:
Base-Base interactions energy: -56.902
where: short stacking energy: -39.395
Base-Backbone interact. energy: -0.676
local terms energy: -66.041045
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: 0.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -317.561844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.561844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.561844 (E_RNA)
where:
Base-Base interactions energy: -214.810
where: short stacking energy: -91.216
Base-Backbone interact. energy: -0.024
local terms energy: -102.727681
where:
bonds (distance) C4'-P energy: -19.369
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -21.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -296.547765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.547765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.547765 (E_RNA)
where:
Base-Base interactions energy: -205.970
where: short stacking energy: -85.086
Base-Backbone interact. energy: -0.114
local terms energy: -90.463972
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -18.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -284.267019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.267019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.267019 (E_RNA)
where:
Base-Base interactions energy: -173.508
where: short stacking energy: -93.770
Base-Backbone interact. energy: -0.003
local terms energy: -110.755731
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -28.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -234.746643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.746643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.746643 (E_RNA)
where:
Base-Base interactions energy: -147.587
where: short stacking energy: -70.487
Base-Backbone interact. energy: -1.559
local terms energy: -85.600569
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -16.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -248.509888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.509888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.509888 (E_RNA)
where:
Base-Base interactions energy: -148.237
where: short stacking energy: -77.098
Base-Backbone interact. energy: -0.665
local terms energy: -99.607967
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -24.773
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -20.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -191.803380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.803380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.803380 (E_RNA)
where:
Base-Base interactions energy: -115.578
where: short stacking energy: -63.484
Base-Backbone interact. energy: -0.481
local terms energy: -75.744738
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -123.987028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.987028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.987028 (E_RNA)
where:
Base-Base interactions energy: -55.096
where: short stacking energy: -52.280
Base-Backbone interact. energy: 0.358
local terms energy: -69.248724
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -19.722
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -5.387
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: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -121.898074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.898074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.898074 (E_RNA)
where:
Base-Base interactions energy: -49.406
where: short stacking energy: -31.401
Base-Backbone interact. energy: -0.294
local terms energy: -72.198320
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -109.634036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.634036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.634036 (E_RNA)
where:
Base-Base interactions energy: -48.879
where: short stacking energy: -44.390
Base-Backbone interact. energy: -0.159
local terms energy: -60.595512
where:
bonds (distance) C4'-P energy: -21.755
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -7.128
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: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -107.518184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.518184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.518184 (E_RNA)
where:
Base-Base interactions energy: -36.693
where: short stacking energy: -28.465
Base-Backbone interact. energy: -0.094
local terms energy: -70.730983
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -17.529
tors. eta vs tors. theta energy: 0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -331.600415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.600415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.600415 (E_RNA)
where:
Base-Base interactions energy: -228.720
where: short stacking energy: -90.757
Base-Backbone interact. energy: 0.124
local terms energy: -103.004643
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -28.263
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: 198
Temperature: 0.950000
Total energy: -323.636031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.636031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.636031 (E_RNA)
where:
Base-Base interactions energy: -215.441
where: short stacking energy: -98.145
Base-Backbone interact. energy: -0.197
local terms energy: -107.998009
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -23.167
flat angles P-C4'-P energy: -15.577
tors. eta vs tors. theta energy: -29.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -278.313030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.313030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.313030 (E_RNA)
where:
Base-Base interactions energy: -174.564
where: short stacking energy: -88.197
Base-Backbone interact. energy: -0.137
local terms energy: -103.611776
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -21.913
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -27.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -263.970447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.970447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.970447 (E_RNA)
where:
Base-Base interactions energy: -166.772
where: short stacking energy: -78.561
Base-Backbone interact. energy: -0.940
local terms energy: -96.258453
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -24.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -257.793045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.793045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.793045 (E_RNA)
where:
Base-Base interactions energy: -165.732
where: short stacking energy: -73.305
Base-Backbone interact. energy: 0.126
local terms energy: -92.186277
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -10.651
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: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -222.633155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.633155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.633155 (E_RNA)
where:
Base-Base interactions energy: -128.626
where: short stacking energy: -71.141
Base-Backbone interact. energy: -0.068
local terms energy: -93.939092
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -9.349
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: 7, replica: 5
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -155.042080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.042080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.042080 (E_RNA)
where:
Base-Base interactions energy: -84.839
where: short stacking energy: -54.369
Base-Backbone interact. energy: -1.492
local terms energy: -68.710982
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -12.639
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: 2
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -154.048939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.048939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.048939 (E_RNA)
where:
Base-Base interactions energy: -73.530
where: short stacking energy: -44.468
Base-Backbone interact. energy: -0.448
local terms energy: -80.071274
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -14.672
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: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -115.858012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.858012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.858012 (E_RNA)
where:
Base-Base interactions energy: -33.721
where: short stacking energy: -33.721
Base-Backbone interact. energy: 0.876
local terms energy: -83.013512
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -95.631316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.631316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.631316 (E_RNA)
where:
Base-Base interactions energy: -36.628
where: short stacking energy: -32.751
Base-Backbone interact. energy: -0.240
local terms energy: -58.762775
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -10.590
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: 1, replica: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -320.049710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.049710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.049710 (E_RNA)
where:
Base-Base interactions energy: -216.735
where: short stacking energy: -96.702
Base-Backbone interact. energy: -0.438
local terms energy: -102.876931
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -25.136
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -26.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -330.753744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.753744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.753744 (E_RNA)
where:
Base-Base interactions energy: -215.921
where: short stacking energy: -104.058
Base-Backbone interact. energy: -0.556
local terms energy: -114.276108
where:
bonds (distance) C4'-P energy: -24.341
bonds (distance) P-C4' energy: -24.597
flat angles C4'-P-C4' energy: -24.114
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -25.855
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: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -281.780959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.780959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.780959 (E_RNA)
where:
Base-Base interactions energy: -176.281
where: short stacking energy: -94.088
Base-Backbone interact. energy: 0.603
local terms energy: -106.103123
where:
bonds (distance) C4'-P energy: -20.523
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -29.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -261.837065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.837065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.837065 (E_RNA)
where:
Base-Base interactions energy: -159.085
where: short stacking energy: -91.311
Base-Backbone interact. energy: -0.161
local terms energy: -102.590331
where:
bonds (distance) C4'-P energy: -22.796
bonds (distance) P-C4' energy: -22.444
flat angles C4'-P-C4' energy: -19.348
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -25.303
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: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -251.886649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.886649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.886649 (E_RNA)
where:
Base-Base interactions energy: -158.320
where: short stacking energy: -78.179
Base-Backbone interact. energy: -0.224
local terms energy: -93.341787
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -22.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -240.701059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.701059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.701059 (E_RNA)
where:
Base-Base interactions energy: -145.303
where: short stacking energy: -66.571
Base-Backbone interact. energy: -0.595
local terms energy: -94.803248
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -19.437
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: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -126.652297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.652297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.652297 (E_RNA)
where:
Base-Base interactions energy: -49.480
where: short stacking energy: -39.704
Base-Backbone interact. energy: -0.286
local terms energy: -76.886540
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -7.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -129.142680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.142680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.142680 (E_RNA)
where:
Base-Base interactions energy: -48.661
where: short stacking energy: -48.661
Base-Backbone interact. energy: -0.265
local terms energy: -80.216757
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -6.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -143.044721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.044721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.044721 (E_RNA)
where:
Base-Base interactions energy: -79.176
where: short stacking energy: -48.905
Base-Backbone interact. energy: 1.184
local terms energy: -65.052876
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -103.005072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.005072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.005072 (E_RNA)
where:
Base-Base interactions energy: -40.280
where: short stacking energy: -26.362
Base-Backbone interact. energy: 0.089
local terms energy: -62.813607
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: 1.548
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: 1, replica: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -334.313830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.313830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.313830 (E_RNA)
where:
Base-Base interactions energy: -221.243
where: short stacking energy: -96.561
Base-Backbone interact. energy: -0.215
local terms energy: -112.855683
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -19.365
tors. eta vs tors. theta energy: -26.068
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: 10
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -310.644714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.644714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.644714 (E_RNA)
where:
Base-Base interactions energy: -207.789
where: short stacking energy: -95.889
Base-Backbone interact. energy: -1.096
local terms energy: -101.760208
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -22.838
flat angles P-C4'-P energy: -17.768
tors. eta vs tors. theta energy: -23.404
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: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -288.436275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.436275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.436275 (E_RNA)
where:
Base-Base interactions energy: -184.879
where: short stacking energy: -96.775
Base-Backbone interact. energy: -0.601
local terms energy: -102.956022
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -26.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -234.816259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.816259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.816259 (E_RNA)
where:
Base-Base interactions energy: -144.572
where: short stacking energy: -72.471
Base-Backbone interact. energy: -0.826
local terms energy: -89.418086
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -20.585
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -250.204323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.204323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.204323 (E_RNA)
where:
Base-Base interactions energy: -165.188
where: short stacking energy: -81.710
Base-Backbone interact. energy: -0.886
local terms energy: -84.130572
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -19.716
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -25.067
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: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -222.974117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.974117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.974117 (E_RNA)
where:
Base-Base interactions energy: -137.527
where: short stacking energy: -67.007
Base-Backbone interact. energy: 1.107
local terms energy: -86.553593
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -16.831
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: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -125.858688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.858688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.858688 (E_RNA)
where:
Base-Base interactions energy: -58.982
where: short stacking energy: -33.601
Base-Backbone interact. energy: -0.243
local terms energy: -66.633153
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -128.421081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.421081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.421081 (E_RNA)
where:
Base-Base interactions energy: -64.279
where: short stacking energy: -30.939
Base-Backbone interact. energy: -0.616
local terms energy: -63.525840
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -16.891
tors. eta vs tors. theta energy: -1.164
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: 200
Temperature: 1.300000
Total energy: -145.926490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.926490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.926490 (E_RNA)
where:
Base-Base interactions energy: -68.835
where: short stacking energy: -42.836
Base-Backbone interact. energy: -0.341
local terms energy: -76.750339
where:
bonds (distance) C4'-P energy: -22.754
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -11.183
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: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -110.646385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.646385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.646385 (E_RNA)
where:
Base-Base interactions energy: -40.728
where: short stacking energy: -40.828
Base-Backbone interact. energy: -0.222
local terms energy: -69.696903
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -325.532389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.532389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.532389 (E_RNA)
where:
Base-Base interactions energy: -217.774
where: short stacking energy: -98.974
Base-Backbone interact. energy: -0.226
local terms energy: -107.532696
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: -26.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -311.877319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.877319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.877319 (E_RNA)
where:
Base-Base interactions energy: -209.157
where: short stacking energy: -90.226
Base-Backbone interact. energy: 0.223
local terms energy: -102.943326
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -20.733
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -26.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -285.633274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.633274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.633274 (E_RNA)
where:
Base-Base interactions energy: -185.864
where: short stacking energy: -99.594
Base-Backbone interact. energy: -0.324
local terms energy: -99.444672
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -29.185
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: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -251.266972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.266972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.266972 (E_RNA)
where:
Base-Base interactions energy: -160.703
where: short stacking energy: -77.227
Base-Backbone interact. energy: -0.241
local terms energy: -90.323485
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -214.364776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.364776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.364776 (E_RNA)
where:
Base-Base interactions energy: -127.777
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.332
local terms energy: -86.255310
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -232.852053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.852053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.852053 (E_RNA)
where:
Base-Base interactions energy: -144.083
where: short stacking energy: -56.859
Base-Backbone interact. energy: -1.894
local terms energy: -86.875342
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -130.264522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.264522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.264522 (E_RNA)
where:
Base-Base interactions energy: -54.627
where: short stacking energy: -51.544
Base-Backbone interact. energy: -1.685
local terms energy: -73.952556
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -6.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -147.501782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.501782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.501782 (E_RNA)
where:
Base-Base interactions energy: -76.993
where: short stacking energy: -52.433
Base-Backbone interact. energy: 1.805
local terms energy: -72.314140
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -8.878
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: 5
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -107.688553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.688553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.688553 (E_RNA)
where:
Base-Base interactions energy: -40.136
where: short stacking energy: -30.407
Base-Backbone interact. energy: -0.151
local terms energy: -67.401959
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -11.505
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: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -108.849316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.849316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.849316 (E_RNA)
where:
Base-Base interactions energy: -42.501
where: short stacking energy: -37.462
Base-Backbone interact. energy: -0.176
local terms energy: -66.172599
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -320.322605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.322605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.322605 (E_RNA)
where:
Base-Base interactions energy: -211.477
where: short stacking energy: -94.797
Base-Backbone interact. energy: -1.326
local terms energy: -107.519994
where:
bonds (distance) C4'-P energy: -21.479
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -27.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -315.777422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.777422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.777422 (E_RNA)
where:
Base-Base interactions energy: -216.102
where: short stacking energy: -90.537
Base-Backbone interact. energy: -0.805
local terms energy: -98.870510
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -23.543
flat angles P-C4'-P energy: -17.357
tors. eta vs tors. theta energy: -23.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -289.146831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.146831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.146831 (E_RNA)
where:
Base-Base interactions energy: -178.106
where: short stacking energy: -92.277
Base-Backbone interact. energy: -0.253
local terms energy: -110.787737
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -20.127
tors. eta vs tors. theta energy: -32.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -268.845408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.845408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.845408 (E_RNA)
where:
Base-Base interactions energy: -181.022
where: short stacking energy: -86.587
Base-Backbone interact. energy: -0.807
local terms energy: -87.016719
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -22.004
flat angles P-C4'-P energy: -14.052
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: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -247.886377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.886377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.886377 (E_RNA)
where:
Base-Base interactions energy: -154.576
where: short stacking energy: -75.828
Base-Backbone interact. energy: -0.023
local terms energy: -93.287343
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -22.013
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: 1
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -256.905563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.905563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.905563 (E_RNA)
where:
Base-Base interactions energy: -166.175
where: short stacking energy: -68.604
Base-Backbone interact. energy: -0.461
local terms energy: -90.270125
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -23.675
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -25.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -116.809093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.809093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.809093 (E_RNA)
where:
Base-Base interactions energy: -47.593
where: short stacking energy: -38.489
Base-Backbone interact. energy: -0.351
local terms energy: -68.864799
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -21.886
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -118.839366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.839366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.839366 (E_RNA)
where:
Base-Base interactions energy: -43.863
where: short stacking energy: -36.151
Base-Backbone interact. energy: -0.174
local terms energy: -74.801841
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -119.822875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.822875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.822875 (E_RNA)
where:
Base-Base interactions energy: -52.940
where: short stacking energy: -30.548
Base-Backbone interact. energy: -0.613
local terms energy: -66.269758
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -13.208
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: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -115.456443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.456443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.456443 (E_RNA)
where:
Base-Base interactions energy: -40.138
where: short stacking energy: -35.996
Base-Backbone interact. energy: -0.390
local terms energy: -74.928121
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -7.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -313.439262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.439262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.439262 (E_RNA)
where:
Base-Base interactions energy: -206.205
where: short stacking energy: -90.863
Base-Backbone interact. energy: 0.772
local terms energy: -108.006430
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -21.345
flat angles P-C4'-P energy: -17.266
tors. eta vs tors. theta energy: -26.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -313.249241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.249241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.249241 (E_RNA)
where:
Base-Base interactions energy: -207.483
where: short stacking energy: -95.862
Base-Backbone interact. energy: -1.523
local terms energy: -104.242716
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -23.846
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -24.731
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: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -289.531487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.531487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.531487 (E_RNA)
where:
Base-Base interactions energy: -182.598
where: short stacking energy: -94.772
Base-Backbone interact. energy: -0.250
local terms energy: -106.683063
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -30.235
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: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -252.929076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.929076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.929076 (E_RNA)
where:
Base-Base interactions energy: -159.380
where: short stacking energy: -77.637
Base-Backbone interact. energy: -0.895
local terms energy: -92.654373
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -20.444
flat angles P-C4'-P energy: -20.362
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -251.133103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.133103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.133103 (E_RNA)
where:
Base-Base interactions energy: -152.696
where: short stacking energy: -81.136
Base-Backbone interact. energy: -1.003
local terms energy: -97.434001
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -20.879
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -21.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -253.058511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.058511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.058511 (E_RNA)
where:
Base-Base interactions energy: -167.536
where: short stacking energy: -78.863
Base-Backbone interact. energy: -0.134
local terms energy: -85.388681
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -20.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -132.014940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.014940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.014940 (E_RNA)
where:
Base-Base interactions energy: -53.085
where: short stacking energy: -45.108
Base-Backbone interact. energy: -0.489
local terms energy: -78.440614
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -22.508
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -110.634257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.634257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.634257 (E_RNA)
where:
Base-Base interactions energy: -43.890
where: short stacking energy: -23.003
Base-Backbone interact. energy: -0.951
local terms energy: -65.793798
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -1.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -98.270273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.270273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.270273 (E_RNA)
where:
Base-Base interactions energy: -34.643
where: short stacking energy: -30.477
Base-Backbone interact. energy: -0.029
local terms energy: -63.597639
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: 0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -103.526327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.526327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.526327 (E_RNA)
where:
Base-Base interactions energy: -33.127
where: short stacking energy: -32.988
Base-Backbone interact. energy: -0.247
local terms energy: -70.152480
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -331.653350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.653350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.653350 (E_RNA)
where:
Base-Base interactions energy: -224.309
where: short stacking energy: -102.926
Base-Backbone interact. energy: -0.392
local terms energy: -106.951765
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -23.191
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -26.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -316.596870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.596870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.596870 (E_RNA)
where:
Base-Base interactions energy: -212.460
where: short stacking energy: -95.462
Base-Backbone interact. energy: -0.123
local terms energy: -104.013495
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -25.637
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -24.465
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: 3, replica: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -308.641666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.641666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.641666 (E_RNA)
where:
Base-Base interactions energy: -196.474
where: short stacking energy: -96.660
Base-Backbone interact. energy: -0.001
local terms energy: -112.167512
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -23.880
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -30.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -259.729957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.729957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.729957 (E_RNA)
where:
Base-Base interactions energy: -169.778
where: short stacking energy: -74.449
Base-Backbone interact. energy: -0.663
local terms energy: -89.288678
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -260.596623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.596623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.596623 (E_RNA)
where:
Base-Base interactions energy: -171.609
where: short stacking energy: -76.183
Base-Backbone interact. energy: -0.071
local terms energy: -88.916641
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -23.088
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -231.178198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.178198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.178198 (E_RNA)
where:
Base-Base interactions energy: -150.949
where: short stacking energy: -66.720
Base-Backbone interact. energy: 0.108
local terms energy: -80.337214
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -130.981323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.981323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.981323 (E_RNA)
where:
Base-Base interactions energy: -54.306
where: short stacking energy: -42.360
Base-Backbone interact. energy: -0.085
local terms energy: -76.590999
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -9.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -117.135531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.135531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.135531 (E_RNA)
where:
Base-Base interactions energy: -49.424
where: short stacking energy: -29.940
Base-Backbone interact. energy: 0.357
local terms energy: -68.069079
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -110.048072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.048072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.048072 (E_RNA)
where:
Base-Base interactions energy: -55.217
where: short stacking energy: -23.668
Base-Backbone interact. energy: -0.288
local terms energy: -54.543797
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -11.832
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: 5
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -99.938117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.938117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.938117 (E_RNA)
where:
Base-Base interactions energy: -40.790
where: short stacking energy: -40.790
Base-Backbone interact. energy: -0.336
local terms energy: -58.811725
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: 2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -333.109349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.109349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.109349 (E_RNA)
where:
Base-Base interactions energy: -225.471
where: short stacking energy: -96.701
Base-Backbone interact. energy: -0.249
local terms energy: -107.389175
where:
bonds (distance) C4'-P energy: -22.755
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -24.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -323.889823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.889823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.889823 (E_RNA)
where:
Base-Base interactions energy: -215.585
where: short stacking energy: -88.615
Base-Backbone interact. energy: -1.162
local terms energy: -107.143106
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -20.745
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: 3, replica: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -298.953306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.953306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.953306 (E_RNA)
where:
Base-Base interactions energy: -184.134
where: short stacking energy: -98.078
Base-Backbone interact. energy: -1.050
local terms energy: -113.769317
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -21.457
flat angles P-C4'-P energy: -18.509
tors. eta vs tors. theta energy: -32.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -275.125284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.125284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.125284 (E_RNA)
where:
Base-Base interactions energy: -182.623
where: short stacking energy: -85.591
Base-Backbone interact. energy: -0.087
local terms energy: -92.415402
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -260.278212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.278212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.278212 (E_RNA)
where:
Base-Base interactions energy: -168.012
where: short stacking energy: -77.476
Base-Backbone interact. energy: -0.996
local terms energy: -91.269393
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -12.734
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: 6, replica: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -249.913915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.913915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.913915 (E_RNA)
where:
Base-Base interactions energy: -162.887
where: short stacking energy: -69.640
Base-Backbone interact. energy: -0.683
local terms energy: -86.344062
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -23.357
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -3.244
tors. eta vs tors. theta energy: -20.574
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: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -134.453398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.453398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.453398 (E_RNA)
where:
Base-Base interactions energy: -65.407
where: short stacking energy: -41.726
Base-Backbone interact. energy: -0.387
local terms energy: -68.659332
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: 2.664
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: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -130.139639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.139639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.139639 (E_RNA)
where:
Base-Base interactions energy: -60.716
where: short stacking energy: -50.304
Base-Backbone interact. energy: -0.084
local terms energy: -69.339278
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -0.943
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: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -110.727872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.727872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.727872 (E_RNA)
where:
Base-Base interactions energy: -52.477
where: short stacking energy: -30.056
Base-Backbone interact. energy: 0.047
local terms energy: -58.298775
where:
bonds (distance) C4'-P energy: -8.887
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -117.280747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.280747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.280747 (E_RNA)
where:
Base-Base interactions energy: -52.459
where: short stacking energy: -44.709
Base-Backbone interact. energy: -0.508
local terms energy: -64.314390
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -15.676
tors. eta vs tors. theta energy: -1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -327.990825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.990825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.990825 (E_RNA)
where:
Base-Base interactions energy: -233.355
where: short stacking energy: -96.071
Base-Backbone interact. energy: -0.666
local terms energy: -93.970318
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -11.323
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: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -319.586869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.586869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.586869 (E_RNA)
where:
Base-Base interactions energy: -218.175
where: short stacking energy: -101.842
Base-Backbone interact. energy: -0.091
local terms energy: -101.320735
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -25.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -288.013077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.013077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.013077 (E_RNA)
where:
Base-Base interactions energy: -182.977
where: short stacking energy: -95.330
Base-Backbone interact. energy: -0.868
local terms energy: -104.168196
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -22.908
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -28.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -277.930391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.930391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.930391 (E_RNA)
where:
Base-Base interactions energy: -183.305
where: short stacking energy: -83.279
Base-Backbone interact. energy: -0.710
local terms energy: -93.915522
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -22.264
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: 5, replica: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -270.516202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.516202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.516202 (E_RNA)
where:
Base-Base interactions energy: -178.898
where: short stacking energy: -74.770
Base-Backbone interact. energy: -0.459
local terms energy: -91.158578
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -14.521
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: 6, replica: 4
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -265.048010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.048010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.048010 (E_RNA)
where:
Base-Base interactions energy: -167.966
where: short stacking energy: -82.876
Base-Backbone interact. energy: -0.105
local terms energy: -96.977249
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -22.656
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: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -120.491067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.491067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.491067 (E_RNA)
where:
Base-Base interactions energy: -48.517
where: short stacking energy: -35.344
Base-Backbone interact. energy: -0.650
local terms energy: -71.324877
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -25.827
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: 3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -107.959663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.959663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.959663 (E_RNA)
where:
Base-Base interactions energy: -35.989
where: short stacking energy: -33.322
Base-Backbone interact. energy: -0.238
local terms energy: -71.732238
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -9.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -109.078455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.078455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.078455 (E_RNA)
where:
Base-Base interactions energy: -44.885
where: short stacking energy: -44.885
Base-Backbone interact. energy: -0.198
local terms energy: -63.995793
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -97.281606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.281606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.281606 (E_RNA)
where:
Base-Base interactions energy: -31.189
where: short stacking energy: -26.356
Base-Backbone interact. energy: -0.318
local terms energy: -65.774408
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: 0.329
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: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -330.696509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.696509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.696509 (E_RNA)
where:
Base-Base interactions energy: -218.567
where: short stacking energy: -97.267
Base-Backbone interact. energy: -0.555
local terms energy: -111.573933
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -25.588
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -28.074
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: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -309.548982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.548982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.548982 (E_RNA)
where:
Base-Base interactions energy: -206.389
where: short stacking energy: -87.771
Base-Backbone interact. energy: -0.148
local terms energy: -103.012284
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -23.971
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -25.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -263.295943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.295943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.295943 (E_RNA)
where:
Base-Base interactions energy: -170.491
where: short stacking energy: -84.509
Base-Backbone interact. energy: -0.597
local terms energy: -92.207649
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -23.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -274.840289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.840289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.840289 (E_RNA)
where:
Base-Base interactions energy: -177.018
where: short stacking energy: -75.006
Base-Backbone interact. energy: -0.364
local terms energy: -97.457891
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -23.596
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -266.898274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.898274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.898274 (E_RNA)
where:
Base-Base interactions energy: -167.363
where: short stacking energy: -74.438
Base-Backbone interact. energy: -0.669
local terms energy: -98.866893
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -21.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -263.324418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.324418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.324418 (E_RNA)
where:
Base-Base interactions energy: -167.492
where: short stacking energy: -94.013
Base-Backbone interact. energy: 0.992
local terms energy: -96.824227
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -13.174
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: 7, replica: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -149.468398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.468398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.468398 (E_RNA)
where:
Base-Base interactions energy: -72.364
where: short stacking energy: -48.662
Base-Backbone interact. energy: -0.104
local terms energy: -77.000023
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -21.810
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -110.415528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.415528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.415528 (E_RNA)
where:
Base-Base interactions energy: -46.421
where: short stacking energy: -40.044
Base-Backbone interact. energy: -0.123
local terms energy: -63.871347
where:
bonds (distance) C4'-P energy: -8.350
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -109.522579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.522579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.522579 (E_RNA)
where:
Base-Base interactions energy: -43.774
where: short stacking energy: -35.447
Base-Backbone interact. energy: -0.354
local terms energy: -65.394961
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -99.026508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.026508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.026508 (E_RNA)
where:
Base-Base interactions energy: -33.514
where: short stacking energy: -33.345
Base-Backbone interact. energy: 0.413
local terms energy: -65.926052
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -4.536
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -313.192573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.192573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.192573 (E_RNA)
where:
Base-Base interactions energy: -207.269
where: short stacking energy: -91.309
Base-Backbone interact. energy: -0.131
local terms energy: -105.792821
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -18.436
tors. eta vs tors. theta energy: -27.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -309.840869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.840869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.840869 (E_RNA)
where:
Base-Base interactions energy: -206.756
where: short stacking energy: -92.643
Base-Backbone interact. energy: 0.930
local terms energy: -104.014654
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -23.317
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -25.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -265.778076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.778076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.778076 (E_RNA)
where:
Base-Base interactions energy: -183.064
where: short stacking energy: -72.099
Base-Backbone interact. energy: -0.481
local terms energy: -82.233291
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -13.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -256.108286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.108286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.108286 (E_RNA)
where:
Base-Base interactions energy: -162.574
where: short stacking energy: -87.088
Base-Backbone interact. energy: -0.308
local terms energy: -93.225862
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -22.494
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: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -259.433799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.433799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.433799 (E_RNA)
where:
Base-Base interactions energy: -162.984
where: short stacking energy: -74.109
Base-Backbone interact. energy: -1.271
local terms energy: -95.178927
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -23.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -244.872290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.872290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.872290 (E_RNA)
where:
Base-Base interactions energy: -149.066
where: short stacking energy: -76.152
Base-Backbone interact. energy: -0.073
local terms energy: -95.732764
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -22.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -119.965374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.965374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.965374 (E_RNA)
where:
Base-Base interactions energy: -49.346
where: short stacking energy: -47.535
Base-Backbone interact. energy: -0.166
local terms energy: -70.453126
where:
bonds (distance) C4'-P energy: -21.261
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -10.496
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: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -125.485919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.485919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.485919 (E_RNA)
where:
Base-Base interactions energy: -66.681
where: short stacking energy: -47.311
Base-Backbone interact. energy: 0.364
local terms energy: -59.168866
where:
bonds (distance) C4'-P energy: -6.590
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -4.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -110.704887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.704887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.704887 (E_RNA)
where:
Base-Base interactions energy: -54.396
where: short stacking energy: -46.545
Base-Backbone interact. energy: -0.319
local terms energy: -55.990651
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -23.466
flat angles C4'-P-C4' energy: -3.501
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -5.700
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: 10, replica: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -111.039347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.039347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.039347 (E_RNA)
where:
Base-Base interactions energy: -42.272
where: short stacking energy: -25.607
Base-Backbone interact. energy: -0.392
local terms energy: -68.375512
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -0.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -320.570180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.570180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.570180 (E_RNA)
where:
Base-Base interactions energy: -212.428
where: short stacking energy: -91.698
Base-Backbone interact. energy: -1.129
local terms energy: -107.013004
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -24.466
flat angles P-C4'-P energy: -16.798
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: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -314.755186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.755186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.755186 (E_RNA)
where:
Base-Base interactions energy: -203.449
where: short stacking energy: -98.404
Base-Backbone interact. energy: -0.127
local terms energy: -111.179362
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -22.460
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -19.540
tors. eta vs tors. theta energy: -26.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -273.957573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.957573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.957573 (E_RNA)
where:
Base-Base interactions energy: -176.158
where: short stacking energy: -84.983
Base-Backbone interact. energy: -0.693
local terms energy: -97.106910
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -24.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -257.441182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.441182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.441182 (E_RNA)
where:
Base-Base interactions energy: -157.759
where: short stacking energy: -87.157
Base-Backbone interact. energy: -0.270
local terms energy: -99.412353
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -22.301
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -233.761389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.761389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.761389 (E_RNA)
where:
Base-Base interactions energy: -149.347
where: short stacking energy: -61.752
Base-Backbone interact. energy: -0.179
local terms energy: -84.235464
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -22.049
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -18.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -243.815811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.815811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.815811 (E_RNA)
where:
Base-Base interactions energy: -146.360
where: short stacking energy: -72.283
Base-Backbone interact. energy: -0.056
local terms energy: -97.399899
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -19.998
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -20.807
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: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -138.705530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.705530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.705530 (E_RNA)
where:
Base-Base interactions energy: -67.230
where: short stacking energy: -43.859
Base-Backbone interact. energy: 0.406
local terms energy: -71.881971
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -112.429849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.429849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.429849 (E_RNA)
where:
Base-Base interactions energy: -52.710
where: short stacking energy: -22.826
Base-Backbone interact. energy: -0.492
local terms energy: -59.228357
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -8.014
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: 2.329
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: 209
Temperature: 1.300000
Total energy: -116.158398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.158398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.158398 (E_RNA)
where:
Base-Base interactions energy: -54.115
where: short stacking energy: -48.594
Base-Backbone interact. energy: -0.314
local terms energy: -61.729632
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -6.894
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -8.814
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: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -111.381580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.381580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.381580 (E_RNA)
where:
Base-Base interactions energy: -34.268
where: short stacking energy: -32.484
Base-Backbone interact. energy: 0.701
local terms energy: -77.815005
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -20.973
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -327.480587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.480587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.480587 (E_RNA)
where:
Base-Base interactions energy: -215.376
where: short stacking energy: -93.331
Base-Backbone interact. energy: 0.064
local terms energy: -112.169149
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -23.638
flat angles C4'-P-C4' energy: -24.824
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: -27.233
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: 2, replica: 10
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -332.725420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.725420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.725420 (E_RNA)
where:
Base-Base interactions energy: -232.445
where: short stacking energy: -95.405
Base-Backbone interact. energy: -0.409
local terms energy: -99.871682
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -13.806
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: 3, replica: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -283.348616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.348616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.348616 (E_RNA)
where:
Base-Base interactions energy: -173.399
where: short stacking energy: -92.027
Base-Backbone interact. energy: 0.676
local terms energy: -110.625182
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -21.515
flat angles P-C4'-P energy: -20.411
tors. eta vs tors. theta energy: -28.670
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: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -278.599865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.599865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.599865 (E_RNA)
where:
Base-Base interactions energy: -183.681
where: short stacking energy: -80.851
Base-Backbone interact. energy: 0.035
local terms energy: -94.953765
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -24.968
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: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -225.125210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.125210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.125210 (E_RNA)
where:
Base-Base interactions energy: -144.189
where: short stacking energy: -50.000
Base-Backbone interact. energy: -0.001
local terms energy: -80.935139
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -20.272
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -14.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -213.398306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.398306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.398306 (E_RNA)
where:
Base-Base interactions energy: -135.916
where: short stacking energy: -65.741
Base-Backbone interact. energy: -0.384
local terms energy: -77.098770
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -121.083308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.083308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.083308 (E_RNA)
where:
Base-Base interactions energy: -39.123
where: short stacking energy: -39.123
Base-Backbone interact. energy: -1.142
local terms energy: -80.818959
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -3.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -131.369178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.369178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.369178 (E_RNA)
where:
Base-Base interactions energy: -65.519
where: short stacking energy: -41.941
Base-Backbone interact. energy: -0.192
local terms energy: -65.658699
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -7.554
flat angles C4'-P-C4' energy: -22.723
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -122.830202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.830202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.830202 (E_RNA)
where:
Base-Base interactions energy: -46.851
where: short stacking energy: -46.851
Base-Backbone interact. energy: -0.996
local terms energy: -74.983242
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -99.675223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.675223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.675223 (E_RNA)
where:
Base-Base interactions energy: -41.221
where: short stacking energy: -41.221
Base-Backbone interact. energy: -0.275
local terms energy: -58.179637
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -327.200599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.200599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.200599 (E_RNA)
where:
Base-Base interactions energy: -215.173
where: short stacking energy: -105.823
Base-Backbone interact. energy: -0.182
local terms energy: -111.846147
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -25.756
flat angles C4'-P-C4' energy: -25.705
flat angles P-C4'-P energy: -16.701
tors. eta vs tors. theta energy: -25.077
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: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -329.353556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.353556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.353556 (E_RNA)
where:
Base-Base interactions energy: -224.253
where: short stacking energy: -94.684
Base-Backbone interact. energy: -0.642
local terms energy: -104.458544
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -24.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -273.861509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.861509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.861509 (E_RNA)
where:
Base-Base interactions energy: -174.511
where: short stacking energy: -78.748
Base-Backbone interact. energy: -0.162
local terms energy: -99.188757
where:
bonds (distance) C4'-P energy: -22.186
bonds (distance) P-C4' energy: -23.843
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -279.519147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.519147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.519147 (E_RNA)
where:
Base-Base interactions energy: -183.643
where: short stacking energy: -72.319
Base-Backbone interact. energy: -3.117
local terms energy: -92.759056
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -209.742310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.742310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.742310 (E_RNA)
where:
Base-Base interactions energy: -123.031
where: short stacking energy: -58.948
Base-Backbone interact. energy: -1.033
local terms energy: -85.678442
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -14.827
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: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -219.122823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.122823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.122823 (E_RNA)
where:
Base-Base interactions energy: -130.921
where: short stacking energy: -65.034
Base-Backbone interact. energy: -0.316
local terms energy: -87.886408
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -16.290
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: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -154.029752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.029752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.029752 (E_RNA)
where:
Base-Base interactions energy: -90.947
where: short stacking energy: -57.468
Base-Backbone interact. energy: -0.071
local terms energy: -63.011393
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -9.825
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: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -118.327530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.327530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.327530 (E_RNA)
where:
Base-Base interactions energy: -41.213
where: short stacking energy: -39.369
Base-Backbone interact. energy: -0.255
local terms energy: -76.858874
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -10.791
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: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -107.986126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.986126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.986126 (E_RNA)
where:
Base-Base interactions energy: -41.545
where: short stacking energy: -41.399
Base-Backbone interact. energy: -0.134
local terms energy: -66.307146
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -5.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -103.755682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.755682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.755682 (E_RNA)
where:
Base-Base interactions energy: -41.263
where: short stacking energy: -37.271
Base-Backbone interact. energy: -0.100
local terms energy: -62.392942
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -321.154565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.154565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.154565 (E_RNA)
where:
Base-Base interactions energy: -214.965
where: short stacking energy: -93.960
Base-Backbone interact. energy: -0.681
local terms energy: -105.509123
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -30.062
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: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -306.926283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.926283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.926283 (E_RNA)
where:
Base-Base interactions energy: -203.212
where: short stacking energy: -94.553
Base-Backbone interact. energy: -0.818
local terms energy: -102.896296
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -14.567
tors. eta vs tors. theta energy: -28.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -270.900519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.900519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.900519 (E_RNA)
where:
Base-Base interactions energy: -166.009
where: short stacking energy: -90.693
Base-Backbone interact. energy: -0.492
local terms energy: -104.399109
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -26.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -255.141210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.141210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.141210 (E_RNA)
where:
Base-Base interactions energy: -166.051
where: short stacking energy: -63.912
Base-Backbone interact. energy: -0.340
local terms energy: -88.750238
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -17.042
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: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -216.595698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.595698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.595698 (E_RNA)
where:
Base-Base interactions energy: -124.863
where: short stacking energy: -64.539
Base-Backbone interact. energy: -0.164
local terms energy: -91.568435
where:
bonds (distance) C4'-P energy: -21.476
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -15.911
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -173.134337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.134337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.134337 (E_RNA)
where:
Base-Base interactions energy: -103.879
where: short stacking energy: -54.898
Base-Backbone interact. energy: -0.017
local terms energy: -69.238803
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -8.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -182.021990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.021990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.021990 (E_RNA)
where:
Base-Base interactions energy: -99.783
where: short stacking energy: -64.447
Base-Backbone interact. energy: 1.234
local terms energy: -83.472776
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -13.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -114.368162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.368162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.368162 (E_RNA)
where:
Base-Base interactions energy: -44.559
where: short stacking energy: -44.559
Base-Backbone interact. energy: -0.098
local terms energy: -69.711130
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -22.329
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -116.208016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.208016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.208016 (E_RNA)
where:
Base-Base interactions energy: -52.815
where: short stacking energy: -45.745
Base-Backbone interact. energy: 0.022
local terms energy: -63.415057
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -5.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -115.247837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.247837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.247837 (E_RNA)
where:
Base-Base interactions energy: -46.729
where: short stacking energy: -41.768
Base-Backbone interact. energy: -0.156
local terms energy: -68.362946
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -325.579618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.579618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.579618 (E_RNA)
where:
Base-Base interactions energy: -229.699
where: short stacking energy: -99.609
Base-Backbone interact. energy: 0.116
local terms energy: -95.996796
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -28.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -284.750981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.750981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.750981 (E_RNA)
where:
Base-Base interactions energy: -180.315
where: short stacking energy: -91.316
Base-Backbone interact. energy: -0.260
local terms energy: -104.176207
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -27.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -300.811887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.811887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.811887 (E_RNA)
where:
Base-Base interactions energy: -205.006
where: short stacking energy: -89.959
Base-Backbone interact. energy: 0.583
local terms energy: -96.389264
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -23.239
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -21.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -275.841441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.841441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.841441 (E_RNA)
where:
Base-Base interactions energy: -181.627
where: short stacking energy: -79.575
Base-Backbone interact. energy: -0.400
local terms energy: -93.814543
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -20.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -251.561539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.561539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.561539 (E_RNA)
where:
Base-Base interactions energy: -161.808
where: short stacking energy: -71.581
Base-Backbone interact. energy: -0.651
local terms energy: -89.103163
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -16.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -184.324466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.324466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.324466 (E_RNA)
where:
Base-Base interactions energy: -115.172
where: short stacking energy: -58.604
Base-Backbone interact. energy: 0.696
local terms energy: -69.848156
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -23.987
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -168.665622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.665622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.665622 (E_RNA)
where:
Base-Base interactions energy: -82.803
where: short stacking energy: -53.516
Base-Backbone interact. energy: 0.614
local terms energy: -86.476145
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -23.140
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -11.577
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: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -116.966682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.966682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.966682 (E_RNA)
where:
Base-Base interactions energy: -52.946
where: short stacking energy: -49.153
Base-Backbone interact. energy: -0.328
local terms energy: -63.693431
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -120.600252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.600252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.600252 (E_RNA)
where:
Base-Base interactions energy: -45.275
where: short stacking energy: -45.275
Base-Backbone interact. energy: -0.276
local terms energy: -75.049838
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -102.797312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.797312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.797312 (E_RNA)
where:
Base-Base interactions energy: -31.768
where: short stacking energy: -24.164
Base-Backbone interact. energy: -0.382
local terms energy: -70.646534
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -14.728
tors. eta vs tors. theta energy: -1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -293.798807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.798807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.798807 (E_RNA)
where:
Base-Base interactions energy: -183.702
where: short stacking energy: -97.818
Base-Backbone interact. energy: -0.107
local terms energy: -109.988973
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -22.407
flat angles P-C4'-P energy: -15.602
tors. eta vs tors. theta energy: -28.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -320.246989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.246989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.246989 (E_RNA)
where:
Base-Base interactions energy: -212.798
where: short stacking energy: -97.948
Base-Backbone interact. energy: -0.160
local terms energy: -107.289149
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -21.428
flat angles C4'-P-C4' energy: -22.586
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -27.660
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: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -277.455463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.455463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.455463 (E_RNA)
where:
Base-Base interactions energy: -178.944
where: short stacking energy: -78.841
Base-Backbone interact. energy: -0.814
local terms energy: -97.697696
where:
bonds (distance) C4'-P energy: -24.751
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -23.853
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: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -298.234446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.234446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.234446 (E_RNA)
where:
Base-Base interactions energy: -198.710
where: short stacking energy: -88.664
Base-Backbone interact. energy: -0.730
local terms energy: -98.795320
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -16.680
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -14.912
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: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -213.786583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.786583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.786583 (E_RNA)
where:
Base-Base interactions energy: -131.191
where: short stacking energy: -62.212
Base-Backbone interact. energy: -0.874
local terms energy: -81.721398
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -23.253
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -15.825
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: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -188.537826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.537826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.537826 (E_RNA)
where:
Base-Base interactions energy: -103.721
where: short stacking energy: -61.364
Base-Backbone interact. energy: -2.788
local terms energy: -82.028430
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -17.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -159.329911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.329911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.329911 (E_RNA)
where:
Base-Base interactions energy: -82.982
where: short stacking energy: -50.775
Base-Backbone interact. energy: 0.399
local terms energy: -76.746491
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -20.100
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -153.346281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.346281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.346281 (E_RNA)
where:
Base-Base interactions energy: -85.070
where: short stacking energy: -42.324
Base-Backbone interact. energy: -2.265
local terms energy: -66.011297
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -111.410958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.410958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.410958 (E_RNA)
where:
Base-Base interactions energy: -51.295
where: short stacking energy: -44.634
Base-Backbone interact. energy: -0.269
local terms energy: -59.846087
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -14.716
tors. eta vs tors. theta energy: -3.293
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: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -102.875943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.875943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.875943 (E_RNA)
where:
Base-Base interactions energy: -35.139
where: short stacking energy: -20.587
Base-Backbone interact. energy: -0.123
local terms energy: -67.614043
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -292.306059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.306059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.306059 (E_RNA)
where:
Base-Base interactions energy: -189.903
where: short stacking energy: -85.742
Base-Backbone interact. energy: -0.224
local terms energy: -102.179303
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -24.087
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: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -285.169279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.169279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.169279 (E_RNA)
where:
Base-Base interactions energy: -183.545
where: short stacking energy: -86.213
Base-Backbone interact. energy: -2.330
local terms energy: -99.294256
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -19.090
flat angles C4'-P-C4' energy: -24.383
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -23.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -295.070837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.070837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.070837 (E_RNA)
where:
Base-Base interactions energy: -194.580
where: short stacking energy: -89.595
Base-Backbone interact. energy: -0.097
local terms energy: -100.393007
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -23.947
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: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -269.209057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.209057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.209057 (E_RNA)
where:
Base-Base interactions energy: -171.690
where: short stacking energy: -74.419
Base-Backbone interact. energy: 0.347
local terms energy: -97.866045
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -248.440666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.440666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.440666 (E_RNA)
where:
Base-Base interactions energy: -157.328
where: short stacking energy: -73.893
Base-Backbone interact. energy: -0.321
local terms energy: -90.792239
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -20.960
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -197.461495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.461495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.461495 (E_RNA)
where:
Base-Base interactions energy: -105.446
where: short stacking energy: -70.652
Base-Backbone interact. energy: -0.787
local terms energy: -91.228392
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -23.022
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -155.280857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.280857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.280857 (E_RNA)
where:
Base-Base interactions energy: -76.404
where: short stacking energy: -51.504
Base-Backbone interact. energy: -0.579
local terms energy: -78.297318
where:
bonds (distance) C4'-P energy: -22.482
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -9.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -127.875849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.875849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.875849 (E_RNA)
where:
Base-Base interactions energy: -63.473
where: short stacking energy: -40.844
Base-Backbone interact. energy: -0.346
local terms energy: -64.056954
where:
bonds (distance) C4'-P energy: -18.393
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -3.265
tors. eta vs tors. theta energy: -3.138
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: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -106.204965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.204965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.204965 (E_RNA)
where:
Base-Base interactions energy: -37.710
where: short stacking energy: -32.201
Base-Backbone interact. energy: -0.847
local terms energy: -67.647982
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -104.039936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.039936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.039936 (E_RNA)
where:
Base-Base interactions energy: -34.883
where: short stacking energy: -27.144
Base-Backbone interact. energy: -0.117
local terms energy: -69.040158
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -13.528
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: 1, replica: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -294.810943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.810943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.810943 (E_RNA)
where:
Base-Base interactions energy: -186.358
where: short stacking energy: -92.895
Base-Backbone interact. energy: -0.108
local terms energy: -108.344758
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -23.645
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -27.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -284.722577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.722577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.722577 (E_RNA)
where:
Base-Base interactions energy: -177.207
where: short stacking energy: -89.372
Base-Backbone interact. energy: -0.495
local terms energy: -107.020282
where:
bonds (distance) C4'-P energy: -23.356
bonds (distance) P-C4' energy: -22.555
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -28.863
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: 3, replica: 10
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -299.275064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.275064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.275064 (E_RNA)
where:
Base-Base interactions energy: -193.206
where: short stacking energy: -94.177
Base-Backbone interact. energy: -0.133
local terms energy: -105.935656
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -21.608
flat angles C4'-P-C4' energy: -24.600
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -25.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -265.162442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.162442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.162442 (E_RNA)
where:
Base-Base interactions energy: -174.153
where: short stacking energy: -74.142
Base-Backbone interact. energy: 0.310
local terms energy: -91.318951
where:
bonds (distance) C4'-P energy: -20.629
bonds (distance) P-C4' energy: -20.940
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -16.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -224.890027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.890027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.890027 (E_RNA)
where:
Base-Base interactions energy: -151.551
where: short stacking energy: -83.974
Base-Backbone interact. energy: -0.358
local terms energy: -72.981821
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -11.353
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: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -194.460529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.460529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.460529 (E_RNA)
where:
Base-Base interactions energy: -107.904
where: short stacking energy: -65.060
Base-Backbone interact. energy: -1.847
local terms energy: -84.710420
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -12.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -147.549051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.549051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.549051 (E_RNA)
where:
Base-Base interactions energy: -91.890
where: short stacking energy: -43.194
Base-Backbone interact. energy: 0.306
local terms energy: -55.964677
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -0.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -146.550365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.550365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.550365 (E_RNA)
where:
Base-Base interactions energy: -84.109
where: short stacking energy: -54.044
Base-Backbone interact. energy: 1.318
local terms energy: -63.759228
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -21.239
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -2.573
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: 9, replica: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -99.812034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.812034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.812034 (E_RNA)
where:
Base-Base interactions energy: -36.254
where: short stacking energy: -24.089
Base-Backbone interact. energy: 0.190
local terms energy: -63.747835
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: 3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -113.822513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.822513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.822513 (E_RNA)
where:
Base-Base interactions energy: -39.505
where: short stacking energy: -36.728
Base-Backbone interact. energy: -0.762
local terms energy: -73.555564
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -300.538490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.538490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.538490 (E_RNA)
where:
Base-Base interactions energy: -194.997
where: short stacking energy: -94.227
Base-Backbone interact. energy: -0.034
local terms energy: -105.507670
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -24.227
flat angles P-C4'-P energy: -13.489
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: 10
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -305.147371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.147371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.147371 (E_RNA)
where:
Base-Base interactions energy: -196.517
where: short stacking energy: -95.731
Base-Backbone interact. energy: -0.733
local terms energy: -107.897370
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -22.218
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -25.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -280.761338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.761338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.761338 (E_RNA)
where:
Base-Base interactions energy: -187.896
where: short stacking energy: -87.110
Base-Backbone interact. energy: -1.031
local terms energy: -91.834959
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -24.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -285.529165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.529165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.529165 (E_RNA)
where:
Base-Base interactions energy: -194.053
where: short stacking energy: -77.975
Base-Backbone interact. energy: -0.894
local terms energy: -90.582273
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -258.060340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.060340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.060340 (E_RNA)
where:
Base-Base interactions energy: -167.420
where: short stacking energy: -67.066
Base-Backbone interact. energy: -0.494
local terms energy: -90.145860
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -22.528
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -16.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -172.243847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.243847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.243847 (E_RNA)
where:
Base-Base interactions energy: -107.388
where: short stacking energy: -68.672
Base-Backbone interact. energy: 0.657
local terms energy: -65.512796
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -20.079
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -2.820
tors. eta vs tors. theta energy: -16.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -175.062985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.062985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.062985 (E_RNA)
where:
Base-Base interactions energy: -97.430
where: short stacking energy: -60.298
Base-Backbone interact. energy: -0.165
local terms energy: -77.467992
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -10.223
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: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -150.519858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.519858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.519858 (E_RNA)
where:
Base-Base interactions energy: -83.188
where: short stacking energy: -53.690
Base-Backbone interact. energy: -0.351
local terms energy: -66.980395
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -10.976
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: 5
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -117.027887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.027887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.027887 (E_RNA)
where:
Base-Base interactions energy: -45.593
where: short stacking energy: -41.937
Base-Backbone interact. energy: -0.887
local terms energy: -70.548036
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -12.621
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: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -125.307861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.307861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.307861 (E_RNA)
where:
Base-Base interactions energy: -65.079
where: short stacking energy: -34.878
Base-Backbone interact. energy: -0.709
local terms energy: -59.519804
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: 0.435
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -309.280804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.280804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.280804 (E_RNA)
where:
Base-Base interactions energy: -208.482
where: short stacking energy: -97.032
Base-Backbone interact. energy: -0.130
local terms energy: -100.668652
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -26.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -282.700933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.700933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.700933 (E_RNA)
where:
Base-Base interactions energy: -173.960
where: short stacking energy: -90.107
Base-Backbone interact. energy: -0.139
local terms energy: -108.601319
where:
bonds (distance) C4'-P energy: -22.463
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -23.221
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -29.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -305.521628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.521628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.521628 (E_RNA)
where:
Base-Base interactions energy: -211.110
where: short stacking energy: -96.122
Base-Backbone interact. energy: 0.096
local terms energy: -94.507424
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -22.163
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -23.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -272.809804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.809804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.809804 (E_RNA)
where:
Base-Base interactions energy: -178.467
where: short stacking energy: -75.765
Base-Backbone interact. energy: -0.608
local terms energy: -93.734754
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -252.776122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.776122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.776122 (E_RNA)
where:
Base-Base interactions energy: -167.551
where: short stacking energy: -70.463
Base-Backbone interact. energy: -0.859
local terms energy: -84.365687
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -20.578
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -179.560704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.560704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.560704 (E_RNA)
where:
Base-Base interactions energy: -100.572
where: short stacking energy: -66.037
Base-Backbone interact. energy: 0.961
local terms energy: -79.949116
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -23.329
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -13.516
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: 7, replica: 2
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -173.132734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.132734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.132734 (E_RNA)
where:
Base-Base interactions energy: -95.721
where: short stacking energy: -55.230
Base-Backbone interact. energy: 0.180
local terms energy: -77.591188
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -12.135
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: 4
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -128.824018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.824018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.824018 (E_RNA)
where:
Base-Base interactions energy: -66.756
where: short stacking energy: -30.401
Base-Backbone interact. energy: -0.055
local terms energy: -62.013610
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -4.410
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -132.372853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.372853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.372853 (E_RNA)
where:
Base-Base interactions energy: -69.660
where: short stacking energy: -35.069
Base-Backbone interact. energy: -0.662
local terms energy: -62.050485
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -116.406269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.406269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.406269 (E_RNA)
where:
Base-Base interactions energy: -45.128
where: short stacking energy: -34.430
Base-Backbone interact. energy: -0.445
local terms energy: -70.832861
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -4.295
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: 1, replica: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -314.540988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.540988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.540988 (E_RNA)
where:
Base-Base interactions energy: -207.257
where: short stacking energy: -101.403
Base-Backbone interact. energy: -0.209
local terms energy: -107.075639
where:
bonds (distance) C4'-P energy: -23.367
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -28.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -303.871512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.871512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.871512 (E_RNA)
where:
Base-Base interactions energy: -203.425
where: short stacking energy: -87.666
Base-Backbone interact. energy: -0.226
local terms energy: -100.220705
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -23.101
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -18.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -265.149450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.149450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.149450 (E_RNA)
where:
Base-Base interactions energy: -169.310
where: short stacking energy: -86.628
Base-Backbone interact. energy: -0.184
local terms energy: -95.655958
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -16.630
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: 4, replica: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -268.885839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.885839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.885839 (E_RNA)
where:
Base-Base interactions energy: -181.365
where: short stacking energy: -87.067
Base-Backbone interact. energy: -0.479
local terms energy: -87.042260
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -20.591
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -25.874
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: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -225.812183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.812183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.812183 (E_RNA)
where:
Base-Base interactions energy: -153.245
where: short stacking energy: -61.552
Base-Backbone interact. energy: 0.038
local terms energy: -72.605340
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -177.373257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.373257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.373257 (E_RNA)
where:
Base-Base interactions energy: -99.424
where: short stacking energy: -54.889
Base-Backbone interact. energy: -0.536
local terms energy: -77.412945
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -8.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -170.660012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.660012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.660012 (E_RNA)
where:
Base-Base interactions energy: -102.969
where: short stacking energy: -55.269
Base-Backbone interact. energy: -0.059
local terms energy: -67.631582
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -13.693
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: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -130.501628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.501628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.501628 (E_RNA)
where:
Base-Base interactions energy: -58.797
where: short stacking energy: -39.201
Base-Backbone interact. energy: -0.148
local terms energy: -71.556529
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -110.717460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.717460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.717460 (E_RNA)
where:
Base-Base interactions energy: -53.696
where: short stacking energy: -44.781
Base-Backbone interact. energy: -0.807
local terms energy: -56.213648
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -10.990
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -104.475915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.475915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.475915 (E_RNA)
where:
Base-Base interactions energy: -28.419
where: short stacking energy: -28.419
Base-Backbone interact. energy: -1.258
local terms energy: -74.798694
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -3.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -330.200445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.200445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.200445 (E_RNA)
where:
Base-Base interactions energy: -220.756
where: short stacking energy: -97.152
Base-Backbone interact. energy: -0.373
local terms energy: -109.070913
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -27.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -299.176284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.176284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.176284 (E_RNA)
where:
Base-Base interactions energy: -192.765
where: short stacking energy: -84.724
Base-Backbone interact. energy: 0.004
local terms energy: -106.415619
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -21.982
flat angles C4'-P-C4' energy: -22.212
flat angles P-C4'-P energy: -16.022
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: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -276.230005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.230005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.230005 (E_RNA)
where:
Base-Base interactions energy: -175.120
where: short stacking energy: -82.150
Base-Backbone interact. energy: -1.490
local terms energy: -99.620111
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -25.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -245.168452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.168452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.168452 (E_RNA)
where:
Base-Base interactions energy: -151.607
where: short stacking energy: -64.094
Base-Backbone interact. energy: 0.552
local terms energy: -94.112763
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -24.869
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -238.817732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.817732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.817732 (E_RNA)
where:
Base-Base interactions energy: -153.646
where: short stacking energy: -64.740
Base-Backbone interact. energy: -1.726
local terms energy: -83.445630
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -21.537
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -11.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -173.107990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.107990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.107990 (E_RNA)
where:
Base-Base interactions energy: -95.923
where: short stacking energy: -55.525
Base-Backbone interact. energy: 1.829
local terms energy: -79.013209
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -23.708
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -121.057027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.057027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.057027 (E_RNA)
where:
Base-Base interactions energy: -57.843
where: short stacking energy: -39.095
Base-Backbone interact. energy: -0.102
local terms energy: -63.112720
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -8.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -143.894043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.894043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.894043 (E_RNA)
where:
Base-Base interactions energy: -82.700
where: short stacking energy: -50.543
Base-Backbone interact. energy: -2.292
local terms energy: -58.902420
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -21.137
flat angles P-C4'-P energy: -2.000
tors. eta vs tors. theta energy: -6.523
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: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -114.063566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.063566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.063566 (E_RNA)
where:
Base-Base interactions energy: -43.912
where: short stacking energy: -43.694
Base-Backbone interact. energy: -0.702
local terms energy: -69.449621
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -10.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -93.370447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.370447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.370447 (E_RNA)
where:
Base-Base interactions energy: -38.893
where: short stacking energy: -29.697
Base-Backbone interact. energy: -0.477
local terms energy: -54.000147
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -14.484
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: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -326.512306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.512306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.512306 (E_RNA)
where:
Base-Base interactions energy: -219.365
where: short stacking energy: -91.789
Base-Backbone interact. energy: -0.167
local terms energy: -106.980050
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -24.832
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: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -306.555958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.555958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.555958 (E_RNA)
where:
Base-Base interactions energy: -203.132
where: short stacking energy: -103.167
Base-Backbone interact. energy: -0.912
local terms energy: -102.512058
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -27.650
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: 221
Temperature: 1.000000
Total energy: -269.239953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.239953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.239953 (E_RNA)
where:
Base-Base interactions energy: -165.455
where: short stacking energy: -85.601
Base-Backbone interact. energy: -2.697
local terms energy: -101.087367
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -22.599
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -24.046
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: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -222.037282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.037282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.037282 (E_RNA)
where:
Base-Base interactions energy: -137.422
where: short stacking energy: -51.164
Base-Backbone interact. energy: -2.246
local terms energy: -82.370148
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -25.008
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -16.543
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: 5, replica: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -230.022987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.022987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.022987 (E_RNA)
where:
Base-Base interactions energy: -140.887
where: short stacking energy: -79.030
Base-Backbone interact. energy: -0.084
local terms energy: -89.051964
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -198.507887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.507887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.507887 (E_RNA)
where:
Base-Base interactions energy: -126.448
where: short stacking energy: -61.010
Base-Backbone interact. energy: -0.989
local terms energy: -71.070126
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -12.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -107.459946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.459946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.459946 (E_RNA)
where:
Base-Base interactions energy: -46.465
where: short stacking energy: -41.377
Base-Backbone interact. energy: 0.770
local terms energy: -61.764675
where:
bonds (distance) C4'-P energy: -21.026
bonds (distance) P-C4' energy: -5.517
flat angles C4'-P-C4' energy: -18.478
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -118.791322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.791322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.791322 (E_RNA)
where:
Base-Base interactions energy: -43.845
where: short stacking energy: -38.235
Base-Backbone interact. energy: -0.373
local terms energy: -74.573521
where:
bonds (distance) C4'-P energy: -19.219
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -116.344537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.344537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.344537 (E_RNA)
where:
Base-Base interactions energy: -41.545
where: short stacking energy: -29.684
Base-Backbone interact. energy: -0.280
local terms energy: -74.519488
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -19.162
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -101.013605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.013605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.013605 (E_RNA)
where:
Base-Base interactions energy: -39.537
where: short stacking energy: -39.493
Base-Backbone interact. energy: -0.222
local terms energy: -61.255325
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -21.649
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -325.954016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.954016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.954016 (E_RNA)
where:
Base-Base interactions energy: -221.248
where: short stacking energy: -99.089
Base-Backbone interact. energy: -0.075
local terms energy: -104.631025
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -28.490
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: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -311.023089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.023089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.023089 (E_RNA)
where:
Base-Base interactions energy: -211.535
where: short stacking energy: -86.463
Base-Backbone interact. energy: -0.826
local terms energy: -98.661729
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -21.720
flat angles C4'-P-C4' energy: -18.788
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -23.789
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: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -277.857971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.857971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.857971 (E_RNA)
where:
Base-Base interactions energy: -170.716
where: short stacking energy: -82.138
Base-Backbone interact. energy: -1.326
local terms energy: -105.816319
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -21.928
flat angles P-C4'-P energy: -18.895
tors. eta vs tors. theta energy: -25.277
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: 222
Temperature: 1.050000
Total energy: -232.546914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.546914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.546914 (E_RNA)
where:
Base-Base interactions energy: -142.292
where: short stacking energy: -72.807
Base-Backbone interact. energy: -0.477
local terms energy: -89.778027
where:
bonds (distance) C4'-P energy: -20.495
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -23.463
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -231.211039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.211039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.211039 (E_RNA)
where:
Base-Base interactions energy: -146.048
where: short stacking energy: -66.628
Base-Backbone interact. energy: -0.862
local terms energy: -84.301398
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -7.858
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: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -178.705449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.705449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.705449 (E_RNA)
where:
Base-Base interactions energy: -100.775
where: short stacking energy: -56.792
Base-Backbone interact. energy: -0.034
local terms energy: -77.896737
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -9.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -123.997301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.997301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.997301 (E_RNA)
where:
Base-Base interactions energy: -49.947
where: short stacking energy: -44.551
Base-Backbone interact. energy: -0.204
local terms energy: -73.846111
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -122.094384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.094384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.094384 (E_RNA)
where:
Base-Base interactions energy: -62.969
where: short stacking energy: -47.670
Base-Backbone interact. energy: -0.139
local terms energy: -58.986076
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -108.090210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.090210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.090210 (E_RNA)
where:
Base-Base interactions energy: -42.766
where: short stacking energy: -42.529
Base-Backbone interact. energy: 0.677
local terms energy: -66.001161
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -3.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -103.004732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.004732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.004732 (E_RNA)
where:
Base-Base interactions energy: -37.094
where: short stacking energy: -36.669
Base-Backbone interact. energy: 0.242
local terms energy: -66.151775
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: 0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -326.657426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.657426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.657426 (E_RNA)
where:
Base-Base interactions energy: -217.008
where: short stacking energy: -99.753
Base-Backbone interact. energy: -0.911
local terms energy: -108.738463
where:
bonds (distance) C4'-P energy: -22.122
bonds (distance) P-C4' energy: -23.300
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -25.079
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: 10
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -301.957358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.957358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.957358 (E_RNA)
where:
Base-Base interactions energy: -198.886
where: short stacking energy: -89.882
Base-Backbone interact. energy: -0.288
local terms energy: -102.783046
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -25.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -296.510193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.510193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.510193 (E_RNA)
where:
Base-Base interactions energy: -181.775
where: short stacking energy: -102.767
Base-Backbone interact. energy: -0.700
local terms energy: -114.035822
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -21.330
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -35.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -228.149887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.149887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.149887 (E_RNA)
where:
Base-Base interactions energy: -142.382
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.393
local terms energy: -85.374883
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -22.073
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -241.258219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.258219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.258219 (E_RNA)
where:
Base-Base interactions energy: -155.498
where: short stacking energy: -73.261
Base-Backbone interact. energy: -0.324
local terms energy: -85.435377
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -19.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -200.667607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.667607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.667607 (E_RNA)
where:
Base-Base interactions energy: -116.134
where: short stacking energy: -73.367
Base-Backbone interact. energy: -0.834
local terms energy: -83.699445
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -22.810
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -121.799508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.799508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.799508 (E_RNA)
where:
Base-Base interactions energy: -58.103
where: short stacking energy: -45.243
Base-Backbone interact. energy: -0.462
local terms energy: -63.234475
where:
bonds (distance) C4'-P energy: -22.487
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -9.359
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -114.385042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.385042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.385042 (E_RNA)
where:
Base-Base interactions energy: -50.024
where: short stacking energy: -48.379
Base-Backbone interact. energy: 2.661
local terms energy: -67.021875
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -18.242
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -5.278
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: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -108.732544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.732544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.732544 (E_RNA)
where:
Base-Base interactions energy: -49.063
where: short stacking energy: -34.932
Base-Backbone interact. energy: 0.095
local terms energy: -59.765061
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -1.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -105.327994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.327994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.327994 (E_RNA)
where:
Base-Base interactions energy: -34.711
where: short stacking energy: -33.213
Base-Backbone interact. energy: -0.157
local terms energy: -70.459732
where:
bonds (distance) C4'-P energy: -19.708
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: 0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -314.418166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.418166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.418166 (E_RNA)
where:
Base-Base interactions energy: -208.055
where: short stacking energy: -92.151
Base-Backbone interact. energy: -0.371
local terms energy: -105.992982
where:
bonds (distance) C4'-P energy: -20.925
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -16.656
tors. eta vs tors. theta energy: -25.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -303.263445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.263445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.263445 (E_RNA)
where:
Base-Base interactions energy: -197.059
where: short stacking energy: -88.840
Base-Backbone interact. energy: -0.220
local terms energy: -105.984314
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -25.527
flat angles P-C4'-P energy: -19.015
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -303.127983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.127983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.127983 (E_RNA)
where:
Base-Base interactions energy: -199.679
where: short stacking energy: -96.793
Base-Backbone interact. energy: -0.767
local terms energy: -102.681668
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -24.321
flat angles P-C4'-P energy: -16.428
tors. eta vs tors. theta energy: -31.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -242.512816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.512816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.512816 (E_RNA)
where:
Base-Base interactions energy: -147.248
where: short stacking energy: -83.927
Base-Backbone interact. energy: 1.144
local terms energy: -96.409165
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -218.126100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.126100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.126100 (E_RNA)
where:
Base-Base interactions energy: -143.083
where: short stacking energy: -72.464
Base-Backbone interact. energy: -0.067
local terms energy: -74.975589
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -17.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -189.347067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.347067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.347067 (E_RNA)
where:
Base-Base interactions energy: -122.414
where: short stacking energy: -68.501
Base-Backbone interact. energy: -0.119
local terms energy: -66.814036
where:
bonds (distance) C4'-P energy: -7.734
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -10.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -121.667776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.667776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.667776 (E_RNA)
where:
Base-Base interactions energy: -53.435
where: short stacking energy: -36.848
Base-Backbone interact. energy: -0.228
local terms energy: -68.005387
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -3.354
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: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -105.238988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.238988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.238988 (E_RNA)
where:
Base-Base interactions energy: -48.062
where: short stacking energy: -27.773
Base-Backbone interact. energy: -0.080
local terms energy: -57.097796
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -132.510986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.510986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.510986 (E_RNA)
where:
Base-Base interactions energy: -77.746
where: short stacking energy: -53.236
Base-Backbone interact. energy: 0.609
local terms energy: -55.374334
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -3.227
tors. eta vs tors. theta energy: 0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -101.264632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.264632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.264632 (E_RNA)
where:
Base-Base interactions energy: -38.303
where: short stacking energy: -26.885
Base-Backbone interact. energy: -0.229
local terms energy: -62.732866
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -8.457
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: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -334.285263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.285263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.285263 (E_RNA)
where:
Base-Base interactions energy: -231.677
where: short stacking energy: -101.868
Base-Backbone interact. energy: -0.628
local terms energy: -101.981138
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -22.278
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -24.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -311.994301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.994301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.994301 (E_RNA)
where:
Base-Base interactions energy: -195.617
where: short stacking energy: -103.360
Base-Backbone interact. energy: -0.040
local terms energy: -116.337591
where:
bonds (distance) C4'-P energy: -25.964
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -32.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -309.092969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.092969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.092969 (E_RNA)
where:
Base-Base interactions energy: -197.248
where: short stacking energy: -88.093
Base-Backbone interact. energy: -0.405
local terms energy: -111.440345
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -21.742
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -27.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -230.701848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.701848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.701848 (E_RNA)
where:
Base-Base interactions energy: -146.852
where: short stacking energy: -67.626
Base-Backbone interact. energy: -0.352
local terms energy: -83.498105
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -14.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -220.553085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.553085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.553085 (E_RNA)
where:
Base-Base interactions energy: -132.381
where: short stacking energy: -70.349
Base-Backbone interact. energy: 1.067
local terms energy: -89.239147
where:
bonds (distance) C4'-P energy: -19.071
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -15.386
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: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -155.270791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.270791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.270791 (E_RNA)
where:
Base-Base interactions energy: -76.499
where: short stacking energy: -68.433
Base-Backbone interact. energy: -0.185
local terms energy: -78.586492
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -10.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -160.011436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.011436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.011436 (E_RNA)
where:
Base-Base interactions energy: -86.752
where: short stacking energy: -59.251
Base-Backbone interact. energy: -0.952
local terms energy: -72.307864
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -12.375
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: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -145.076483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.076483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.076483 (E_RNA)
where:
Base-Base interactions energy: -71.766
where: short stacking energy: -47.406
Base-Backbone interact. energy: 0.345
local terms energy: -73.654910
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -7.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -118.791408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.791408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.791408 (E_RNA)
where:
Base-Base interactions energy: -46.686
where: short stacking energy: -39.050
Base-Backbone interact. energy: 1.512
local terms energy: -73.618003
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -8.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -100.551260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.551260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.551260 (E_RNA)
where:
Base-Base interactions energy: -29.385
where: short stacking energy: -29.385
Base-Backbone interact. energy: -0.307
local terms energy: -70.859172
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -291.926799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.926799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.926799 (E_RNA)
where:
Base-Base interactions energy: -181.630
where: short stacking energy: -97.978
Base-Backbone interact. energy: -0.115
local terms energy: -110.181304
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -20.891
flat angles C4'-P-C4' energy: -24.672
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -27.325
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: 9
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -306.236402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.236402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.236402 (E_RNA)
where:
Base-Base interactions energy: -197.408
where: short stacking energy: -92.445
Base-Backbone interact. energy: -0.412
local terms energy: -108.416306
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -22.285
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -28.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -246.024264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.024264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.024264 (E_RNA)
where:
Base-Base interactions energy: -145.963
where: short stacking energy: -82.410
Base-Backbone interact. energy: -0.760
local terms energy: -99.300551
where:
bonds (distance) C4'-P energy: -23.206
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -22.282
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -24.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -289.277144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.277144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.277144 (E_RNA)
where:
Base-Base interactions energy: -193.177
where: short stacking energy: -80.098
Base-Backbone interact. energy: -0.299
local terms energy: -95.801161
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -15.424
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: 5, replica: 1
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -233.941347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.941347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.941347 (E_RNA)
where:
Base-Base interactions energy: -141.815
where: short stacking energy: -65.157
Base-Backbone interact. energy: -0.028
local terms energy: -92.098278
where:
bonds (distance) C4'-P energy: -23.268
bonds (distance) P-C4' energy: -19.717
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -173.939180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.939180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.939180 (E_RNA)
where:
Base-Base interactions energy: -97.374
where: short stacking energy: -57.334
Base-Backbone interact. energy: -0.523
local terms energy: -76.041733
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -19.810
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -10.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -150.330558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.330558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.330558 (E_RNA)
where:
Base-Base interactions energy: -76.801
where: short stacking energy: -50.377
Base-Backbone interact. energy: -2.227
local terms energy: -71.302474
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -130.460678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.460678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.460678 (E_RNA)
where:
Base-Base interactions energy: -53.559
where: short stacking energy: -38.862
Base-Backbone interact. energy: -1.822
local terms energy: -75.079066
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -20.370
flat angles C4'-P-C4' energy: -22.980
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -7.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -135.000278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.000278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.000278 (E_RNA)
where:
Base-Base interactions energy: -74.501
where: short stacking energy: -54.923
Base-Backbone interact. energy: 1.465
local terms energy: -61.963921
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -12.810
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: 2
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -111.695593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.695593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.695593 (E_RNA)
where:
Base-Base interactions energy: -45.254
where: short stacking energy: -29.096
Base-Backbone interact. energy: -0.028
local terms energy: -66.413160
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -10.858
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: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -292.024296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.024296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.024296 (E_RNA)
where:
Base-Base interactions energy: -187.832
where: short stacking energy: -90.325
Base-Backbone interact. energy: -0.028
local terms energy: -104.164440
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -23.114
flat angles P-C4'-P energy: -12.236
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: 2, replica: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -315.236594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.236594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.236594 (E_RNA)
where:
Base-Base interactions energy: -205.243
where: short stacking energy: -94.602
Base-Backbone interact. energy: -0.256
local terms energy: -109.738125
where:
bonds (distance) C4'-P energy: -23.936
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -21.363
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -27.949
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: 227
Temperature: 1.000000
Total energy: -240.825042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.825042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.825042 (E_RNA)
where:
Base-Base interactions energy: -148.036
where: short stacking energy: -69.874
Base-Backbone interact. energy: -0.678
local terms energy: -92.110864
where:
bonds (distance) C4'-P energy: -21.170
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -20.533
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: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -238.363159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.363159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.363159 (E_RNA)
where:
Base-Base interactions energy: -136.906
where: short stacking energy: -76.609
Base-Backbone interact. energy: -0.098
local terms energy: -101.359437
where:
bonds (distance) C4'-P energy: -20.946
bonds (distance) P-C4' energy: -20.922
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -16.817
tors. eta vs tors. theta energy: -22.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -286.041721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.041721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.041721 (E_RNA)
where:
Base-Base interactions energy: -180.407
where: short stacking energy: -87.694
Base-Backbone interact. energy: 1.463
local terms energy: -107.097868
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -29.582
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: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -172.303196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.303196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.303196 (E_RNA)
where:
Base-Base interactions energy: -93.166
where: short stacking energy: -58.120
Base-Backbone interact. energy: -1.280
local terms energy: -77.857261
where:
bonds (distance) C4'-P energy: -18.905
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -6.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -151.125016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.125016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.125016 (E_RNA)
where:
Base-Base interactions energy: -85.374
where: short stacking energy: -49.422
Base-Backbone interact. energy: -0.417
local terms energy: -65.333903
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -6.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -164.925923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.925923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.925923 (E_RNA)
where:
Base-Base interactions energy: -82.816
where: short stacking energy: -46.860
Base-Backbone interact. energy: -1.463
local terms energy: -80.646114
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -7.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -121.494806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.494806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.494806 (E_RNA)
where:
Base-Base interactions energy: -63.813
where: short stacking energy: -47.110
Base-Backbone interact. energy: -0.878
local terms energy: -56.804077
where:
bonds (distance) C4'-P energy: -7.631
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -5.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -105.864454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.864454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.864454 (E_RNA)
where:
Base-Base interactions energy: -41.883
where: short stacking energy: -41.883
Base-Backbone interact. energy: 0.726
local terms energy: -64.707494
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -316.341841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.341841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.341841 (E_RNA)
where:
Base-Base interactions energy: -215.711
where: short stacking energy: -92.813
Base-Backbone interact. energy: -0.459
local terms energy: -100.171365
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -13.218
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: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -287.963949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.963949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.963949 (E_RNA)
where:
Base-Base interactions energy: -182.379
where: short stacking energy: -90.475
Base-Backbone interact. energy: -0.218
local terms energy: -105.366976
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -20.531
tors. eta vs tors. theta energy: -25.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -250.066572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.066572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.066572 (E_RNA)
where:
Base-Base interactions energy: -154.893
where: short stacking energy: -84.713
Base-Backbone interact. energy: -0.184
local terms energy: -94.990133
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -25.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -230.665074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.665074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.665074 (E_RNA)
where:
Base-Base interactions energy: -137.525
where: short stacking energy: -74.555
Base-Backbone interact. energy: -0.763
local terms energy: -92.376193
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -285.795901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.795901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.795901 (E_RNA)
where:
Base-Base interactions energy: -192.176
where: short stacking energy: -85.770
Base-Backbone interact. energy: -1.630
local terms energy: -91.989105
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -18.807
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -14.854
tors. eta vs tors. theta energy: -25.709
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: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -160.434844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.434844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.434844 (E_RNA)
where:
Base-Base interactions energy: -82.980
where: short stacking energy: -51.773
Base-Backbone interact. energy: -0.730
local terms energy: -76.724877
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -7.763
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: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -169.864870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.864870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.864870 (E_RNA)
where:
Base-Base interactions energy: -82.150
where: short stacking energy: -53.972
Base-Backbone interact. energy: -1.083
local terms energy: -86.632519
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -23.376
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -119.593967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.593967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.593967 (E_RNA)
where:
Base-Base interactions energy: -46.737
where: short stacking energy: -33.468
Base-Backbone interact. energy: -0.272
local terms energy: -72.585448
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -23.298
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -12.449
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)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -109.414024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.414024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.414024 (E_RNA)
where:
Base-Base interactions energy: -43.174
where: short stacking energy: -38.939
Base-Backbone interact. energy: -0.672
local terms energy: -65.567885
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -9.462
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -1.293
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: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -103.521166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.521166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.521166 (E_RNA)
where:
Base-Base interactions energy: -40.700
where: short stacking energy: -36.893
Base-Backbone interact. energy: -0.220
local terms energy: -62.601008
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -321.632679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.632679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.632679 (E_RNA)
where:
Base-Base interactions energy: -215.225
where: short stacking energy: -96.854
Base-Backbone interact. energy: -0.068
local terms energy: -106.339082
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -25.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -260.049450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.049450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.049450 (E_RNA)
where:
Base-Base interactions energy: -157.344
where: short stacking energy: -93.193
Base-Backbone interact. energy: -0.005
local terms energy: -102.700066
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -24.913
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: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -272.669921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.669921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.669921 (E_RNA)
where:
Base-Base interactions energy: -173.408
where: short stacking energy: -82.845
Base-Backbone interact. energy: -0.024
local terms energy: -99.237839
where:
bonds (distance) C4'-P energy: -21.752
bonds (distance) P-C4' energy: -20.201
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -23.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -289.231563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.231563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.231563 (E_RNA)
where:
Base-Base interactions energy: -196.454
where: short stacking energy: -88.493
Base-Backbone interact. energy: -0.743
local terms energy: -92.035302
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -19.659
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -20.470
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: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -215.532622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.532622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.532622 (E_RNA)
where:
Base-Base interactions energy: -137.872
where: short stacking energy: -64.975
Base-Backbone interact. energy: 0.022
local terms energy: -77.682121
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -21.584
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -14.838
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: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -188.804155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.804155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.804155 (E_RNA)
where:
Base-Base interactions energy: -110.891
where: short stacking energy: -73.866
Base-Backbone interact. energy: 1.167
local terms energy: -79.080354
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -16.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -149.195542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.195542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.195542 (E_RNA)
where:
Base-Base interactions energy: -84.604
where: short stacking energy: -56.436
Base-Backbone interact. energy: -0.896
local terms energy: -63.695950
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -114.442723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.442723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.442723 (E_RNA)
where:
Base-Base interactions energy: -50.706
where: short stacking energy: -33.485
Base-Backbone interact. energy: -0.542
local terms energy: -63.194906
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -3.266
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -8.271
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: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -112.706784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.706784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.706784 (E_RNA)
where:
Base-Base interactions energy: -46.787
where: short stacking energy: -32.690
Base-Backbone interact. energy: -0.246
local terms energy: -65.673547
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -109.541983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.541983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.541983 (E_RNA)
where:
Base-Base interactions energy: -41.312
where: short stacking energy: -41.312
Base-Backbone interact. energy: -0.234
local terms energy: -67.996064
where:
bonds (distance) C4'-P energy: -21.324
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -8.207
flat angles P-C4'-P energy: -13.804
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)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -322.151310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.151310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.151310 (E_RNA)
where:
Base-Base interactions energy: -214.230
where: short stacking energy: -98.793
Base-Backbone interact. energy: -0.531
local terms energy: -107.390608
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -24.324
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -24.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -257.836493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.836493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.836493 (E_RNA)
where:
Base-Base interactions energy: -153.548
where: short stacking energy: -92.443
Base-Backbone interact. energy: -0.967
local terms energy: -103.322085
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -26.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -309.346291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.346291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.346291 (E_RNA)
where:
Base-Base interactions energy: -208.877
where: short stacking energy: -94.455
Base-Backbone interact. energy: -0.670
local terms energy: -99.798599
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -11.999
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: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -289.290623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.290623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.290623 (E_RNA)
where:
Base-Base interactions energy: -180.096
where: short stacking energy: -91.849
Base-Backbone interact. energy: -0.006
local terms energy: -109.188257
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -22.200
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -33.149
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: 230
Temperature: 1.100000
Total energy: -228.324494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.324494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.324494 (E_RNA)
where:
Base-Base interactions energy: -144.110
where: short stacking energy: -68.241
Base-Backbone interact. energy: -0.598
local terms energy: -83.616941
where:
bonds (distance) C4'-P energy: -22.719
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -176.000213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.000213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.000213 (E_RNA)
where:
Base-Base interactions energy: -95.665
where: short stacking energy: -59.887
Base-Backbone interact. energy: -0.776
local terms energy: -79.559661
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -18.396
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -148.265809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.265809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.265809 (E_RNA)
where:
Base-Base interactions energy: -75.553
where: short stacking energy: -48.447
Base-Backbone interact. energy: 0.391
local terms energy: -73.103607
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -115.918001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.918001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.918001 (E_RNA)
where:
Base-Base interactions energy: -51.745
where: short stacking energy: -34.849
Base-Backbone interact. energy: -1.409
local terms energy: -62.763962
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -107.434182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.434182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.434182 (E_RNA)
where:
Base-Base interactions energy: -37.127
where: short stacking energy: -36.651
Base-Backbone interact. energy: -0.258
local terms energy: -70.048616
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -6.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -101.953634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.953634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.953634 (E_RNA)
where:
Base-Base interactions energy: -36.336
where: short stacking energy: -33.153
Base-Backbone interact. energy: -0.671
local terms energy: -64.946762
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -8.096
flat angles P-C4'-P energy: -13.396
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: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -320.238861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.238861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.238861 (E_RNA)
where:
Base-Base interactions energy: -209.382
where: short stacking energy: -98.032
Base-Backbone interact. energy: -0.400
local terms energy: -110.456365
where:
bonds (distance) C4'-P energy: -24.709
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -26.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -310.424739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.424739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.424739 (E_RNA)
where:
Base-Base interactions energy: -200.630
where: short stacking energy: -95.962
Base-Backbone interact. energy: -0.705
local terms energy: -109.089830
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -22.327
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -27.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -251.522119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.522119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.522119 (E_RNA)
where:
Base-Base interactions energy: -146.508
where: short stacking energy: -88.059
Base-Backbone interact. energy: -0.073
local terms energy: -104.941348
where:
bonds (distance) C4'-P energy: -17.950
bonds (distance) P-C4' energy: -24.002
flat angles C4'-P-C4' energy: -23.676
flat angles P-C4'-P energy: -15.239
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: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -279.653388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.653388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.653388 (E_RNA)
where:
Base-Base interactions energy: -179.071
where: short stacking energy: -86.625
Base-Backbone interact. energy: -0.005
local terms energy: -100.577430
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -13.671
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: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -211.868529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.868529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.868529 (E_RNA)
where:
Base-Base interactions energy: -127.155
where: short stacking energy: -58.521
Base-Backbone interact. energy: 1.035
local terms energy: -85.748996
where:
bonds (distance) C4'-P energy: -22.902
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -174.779108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.779108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.779108 (E_RNA)
where:
Base-Base interactions energy: -100.299
where: short stacking energy: -61.749
Base-Backbone interact. energy: -0.122
local terms energy: -74.358211
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -9.387
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: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -144.741476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.741476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.741476 (E_RNA)
where:
Base-Base interactions energy: -60.921
where: short stacking energy: -53.109
Base-Backbone interact. energy: 0.793
local terms energy: -84.614014
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -12.104
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: 8, replica: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -128.645165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.645165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.645165 (E_RNA)
where:
Base-Base interactions energy: -52.692
where: short stacking energy: -41.139
Base-Backbone interact. energy: 1.546
local terms energy: -77.498922
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -118.556710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.556710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.556710 (E_RNA)
where:
Base-Base interactions energy: -43.886
where: short stacking energy: -42.267
Base-Backbone interact. energy: -0.195
local terms energy: -74.475882
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -10.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -91.438346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.438346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.438346 (E_RNA)
where:
Base-Base interactions energy: -34.039
where: short stacking energy: -33.912
Base-Backbone interact. energy: -0.253
local terms energy: -57.146202
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -9.640
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: 1, replica: 10
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -305.572567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.572567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.572567 (E_RNA)
where:
Base-Base interactions energy: -204.641
where: short stacking energy: -97.687
Base-Backbone interact. energy: 0.256
local terms energy: -101.187894
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -24.803
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: 9
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -320.495872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.495872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.495872 (E_RNA)
where:
Base-Base interactions energy: -216.841
where: short stacking energy: -87.427
Base-Backbone interact. energy: -0.204
local terms energy: -103.450031
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -23.815
flat angles P-C4'-P energy: -16.863
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: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -275.455613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.455613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.455613 (E_RNA)
where:
Base-Base interactions energy: -173.784
where: short stacking energy: -94.263
Base-Backbone interact. energy: -0.009
local terms energy: -101.662721
where:
bonds (distance) C4'-P energy: -22.235
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -27.964
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: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -244.550114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.550114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.550114 (E_RNA)
where:
Base-Base interactions energy: -143.114
where: short stacking energy: -74.038
Base-Backbone interact. energy: -0.089
local terms energy: -101.346931
where:
bonds (distance) C4'-P energy: -21.183
bonds (distance) P-C4' energy: -21.276
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -19.295
tors. eta vs tors. theta energy: -22.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -223.013076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.013076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.013076 (E_RNA)
where:
Base-Base interactions energy: -146.612
where: short stacking energy: -66.299
Base-Backbone interact. energy: -0.096
local terms energy: -76.305173
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -205.414925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.414925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.414925 (E_RNA)
where:
Base-Base interactions energy: -122.608
where: short stacking energy: -74.182
Base-Backbone interact. energy: -0.196
local terms energy: -82.611514
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -15.561
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -122.773144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.773144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.773144 (E_RNA)
where:
Base-Base interactions energy: -53.748
where: short stacking energy: -41.602
Base-Backbone interact. energy: 0.786
local terms energy: -69.810353
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -8.928
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: 4
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -118.553748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.553748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.553748 (E_RNA)
where:
Base-Base interactions energy: -45.287
where: short stacking energy: -42.039
Base-Backbone interact. energy: -0.883
local terms energy: -72.383223
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -116.638180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.638180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.638180 (E_RNA)
where:
Base-Base interactions energy: -42.792
where: short stacking energy: -42.554
Base-Backbone interact. energy: -0.129
local terms energy: -73.717027
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -21.672
flat angles P-C4'-P energy: -12.420
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: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -130.216222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.216222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.216222 (E_RNA)
where:
Base-Base interactions energy: -59.137
where: short stacking energy: -39.664
Base-Backbone interact. energy: -0.284
local terms energy: -70.795497
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -313.406977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.406977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.406977 (E_RNA)
where:
Base-Base interactions energy: -211.230
where: short stacking energy: -97.787
Base-Backbone interact. energy: 0.339
local terms energy: -102.516437
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -23.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -316.106694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.106694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.106694 (E_RNA)
where:
Base-Base interactions energy: -218.127
where: short stacking energy: -87.635
Base-Backbone interact. energy: -0.169
local terms energy: -97.809940
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -22.815
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -24.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -268.531270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.531270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.531270 (E_RNA)
where:
Base-Base interactions energy: -179.548
where: short stacking energy: -92.008
Base-Backbone interact. energy: -0.155
local terms energy: -88.828093
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -24.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -257.800172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.800172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.800172 (E_RNA)
where:
Base-Base interactions energy: -162.160
where: short stacking energy: -75.862
Base-Backbone interact. energy: -1.411
local terms energy: -94.228952
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -19.683
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: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -198.915752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.915752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.915752 (E_RNA)
where:
Base-Base interactions energy: -102.575
where: short stacking energy: -73.753
Base-Backbone interact. energy: -1.504
local terms energy: -94.836256
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -17.444
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: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -129.294794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.294794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.294794 (E_RNA)
where:
Base-Base interactions energy: -41.707
where: short stacking energy: -36.045
Base-Backbone interact. energy: -0.125
local terms energy: -87.462233
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -147.351080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.351080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.351080 (E_RNA)
where:
Base-Base interactions energy: -80.828
where: short stacking energy: -47.108
Base-Backbone interact. energy: -0.389
local terms energy: -66.133965
where:
bonds (distance) C4'-P energy: -9.235
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -7.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -108.343072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.343072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.343072 (E_RNA)
where:
Base-Base interactions energy: -40.627
where: short stacking energy: -39.092
Base-Backbone interact. energy: 0.235
local terms energy: -67.951123
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -21.431
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -8.838
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)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -104.030585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.030585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.030585 (E_RNA)
where:
Base-Base interactions energy: -41.175
where: short stacking energy: -41.175
Base-Backbone interact. energy: -0.099
local terms energy: -62.756988
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -6.854
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -6.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -102.569741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.569741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.569741 (E_RNA)
where:
Base-Base interactions energy: -37.919
where: short stacking energy: -32.210
Base-Backbone interact. energy: -0.330
local terms energy: -64.320665
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -18.867
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -333.980581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.980581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.980581 (E_RNA)
where:
Base-Base interactions energy: -219.926
where: short stacking energy: -97.069
Base-Backbone interact. energy: -0.717
local terms energy: -113.337676
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -23.975
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -27.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -300.892217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.892217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.892217 (E_RNA)
where:
Base-Base interactions energy: -189.924
where: short stacking energy: -84.491
Base-Backbone interact. energy: -1.597
local terms energy: -109.371658
where:
bonds (distance) C4'-P energy: -22.578
bonds (distance) P-C4' energy: -23.368
flat angles C4'-P-C4' energy: -22.943
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -24.402
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: 1
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -283.971477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.971477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.971477 (E_RNA)
where:
Base-Base interactions energy: -182.888
where: short stacking energy: -93.905
Base-Backbone interact. energy: -0.003
local terms energy: -101.079654
where:
bonds (distance) C4'-P energy: -22.525
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -22.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -270.347472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.347472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.347472 (E_RNA)
where:
Base-Base interactions energy: -172.569
where: short stacking energy: -90.946
Base-Backbone interact. energy: -0.071
local terms energy: -97.707312
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -26.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -176.261517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.261517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.261517 (E_RNA)
where:
Base-Base interactions energy: -104.301
where: short stacking energy: -67.730
Base-Backbone interact. energy: -1.113
local terms energy: -70.848051
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -159.181556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.181556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.181556 (E_RNA)
where:
Base-Base interactions energy: -86.811
where: short stacking energy: -54.835
Base-Backbone interact. energy: -0.045
local terms energy: -72.325951
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -8.289
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: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -125.243727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.243727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.243727 (E_RNA)
where:
Base-Base interactions energy: -49.010
where: short stacking energy: -42.586
Base-Backbone interact. energy: -0.131
local terms energy: -76.102808
where:
bonds (distance) C4'-P energy: -19.927
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -5.325
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: 8, replica: 2
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -118.609522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.609522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.609522 (E_RNA)
where:
Base-Base interactions energy: -45.269
where: short stacking energy: -41.258
Base-Backbone interact. energy: -0.962
local terms energy: -72.377661
where:
bonds (distance) C4'-P energy: -8.321
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -8.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -110.359832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.359832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.359832 (E_RNA)
where:
Base-Base interactions energy: -42.527
where: short stacking energy: -33.093
Base-Backbone interact. energy: -0.039
local terms energy: -67.794675
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -104.243651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.243651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.243651 (E_RNA)
where:
Base-Base interactions energy: -38.223
where: short stacking energy: -28.066
Base-Backbone interact. energy: -1.122
local terms energy: -64.898249
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -22.576
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: 1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -329.465694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.465694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.465694 (E_RNA)
where:
Base-Base interactions energy: -218.708
where: short stacking energy: -93.396
Base-Backbone interact. energy: 0.015
local terms energy: -110.772404
where:
bonds (distance) C4'-P energy: -22.635
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -22.943
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -26.956
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: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -290.358945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.358945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.358945 (E_RNA)
where:
Base-Base interactions energy: -193.922
where: short stacking energy: -82.329
Base-Backbone interact. energy: -1.110
local terms energy: -95.327688
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -24.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -296.181148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.181148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.181148 (E_RNA)
where:
Base-Base interactions energy: -195.897
where: short stacking energy: -81.793
Base-Backbone interact. energy: -0.757
local terms energy: -99.527123
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -18.997
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -29.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -271.965712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.965712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.965712 (E_RNA)
where:
Base-Base interactions energy: -168.399
where: short stacking energy: -84.658
Base-Backbone interact. energy: -1.108
local terms energy: -102.458389
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -23.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -170.636767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.636767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.636767 (E_RNA)
where:
Base-Base interactions energy: -88.301
where: short stacking energy: -58.616
Base-Backbone interact. energy: -0.451
local terms energy: -81.884807
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -9.739
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: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -174.886690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.886690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.886690 (E_RNA)
where:
Base-Base interactions energy: -97.277
where: short stacking energy: -63.808
Base-Backbone interact. energy: -0.189
local terms energy: -77.419972
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -22.459
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -11.429
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: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -120.386443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.386443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.386443 (E_RNA)
where:
Base-Base interactions energy: -54.945
where: short stacking energy: -37.474
Base-Backbone interact. energy: -0.347
local terms energy: -65.093657
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -2.199
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: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -97.482738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.482738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.482738 (E_RNA)
where:
Base-Base interactions energy: -41.232
where: short stacking energy: -36.096
Base-Backbone interact. energy: -0.334
local terms energy: -55.917121
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -11.086
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: 9, replica: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -110.565669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.565669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.565669 (E_RNA)
where:
Base-Base interactions energy: -40.702
where: short stacking energy: -38.662
Base-Backbone interact. energy: -0.004
local terms energy: -69.859975
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -5.691
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: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -104.681176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.681176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.681176 (E_RNA)
where:
Base-Base interactions energy: -38.397
where: short stacking energy: -38.397
Base-Backbone interact. energy: -0.160
local terms energy: -66.123686
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -8.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -329.591034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.591034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.591034 (E_RNA)
where:
Base-Base interactions energy: -221.811
where: short stacking energy: -98.044
Base-Backbone interact. energy: -0.732
local terms energy: -107.047986
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -27.359
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: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -309.394007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.394007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.394007 (E_RNA)
where:
Base-Base interactions energy: -201.531
where: short stacking energy: -100.287
Base-Backbone interact. energy: -0.117
local terms energy: -107.746797
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -24.470
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -27.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -290.418599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.418599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.418599 (E_RNA)
where:
Base-Base interactions energy: -177.659
where: short stacking energy: -97.630
Base-Backbone interact. energy: -0.548
local terms energy: -112.211372
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -24.694
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -31.919
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: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -292.138062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.138062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.138062 (E_RNA)
where:
Base-Base interactions energy: -184.469
where: short stacking energy: -82.794
Base-Backbone interact. energy: -0.099
local terms energy: -107.570531
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -24.240
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -23.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -166.947813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.947813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.947813 (E_RNA)
where:
Base-Base interactions energy: -87.954
where: short stacking energy: -56.226
Base-Backbone interact. energy: 0.051
local terms energy: -79.044500
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -7.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -175.161206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.161206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.161206 (E_RNA)
where:
Base-Base interactions energy: -104.027
where: short stacking energy: -50.246
Base-Backbone interact. energy: -0.836
local terms energy: -70.298079
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -17.683
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -13.437
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: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -119.866005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.866005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.866005 (E_RNA)
where:
Base-Base interactions energy: -44.763
where: short stacking energy: -41.293
Base-Backbone interact. energy: -0.213
local terms energy: -74.890548
where:
bonds (distance) C4'-P energy: -22.784
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -12.568
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: 8, replica: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -136.982270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.982270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.982270 (E_RNA)
where:
Base-Base interactions energy: -65.567
where: short stacking energy: -49.744
Base-Backbone interact. energy: -0.607
local terms energy: -70.808382
where:
bonds (distance) C4'-P energy: -18.678
bonds (distance) P-C4' energy: -22.241
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -10.268
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: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -107.082867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.082867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.082867 (E_RNA)
where:
Base-Base interactions energy: -42.593
where: short stacking energy: -35.592
Base-Backbone interact. energy: -0.334
local terms energy: -64.155650
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: 2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -109.616268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.616268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.616268 (E_RNA)
where:
Base-Base interactions energy: -51.319
where: short stacking energy: -43.647
Base-Backbone interact. energy: -0.162
local terms energy: -58.136068
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -1.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -331.334287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.334287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.334287 (E_RNA)
where:
Base-Base interactions energy: -227.374
where: short stacking energy: -103.540
Base-Backbone interact. energy: -1.531
local terms energy: -102.429148
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -20.476
flat angles P-C4'-P energy: -18.751
tors. eta vs tors. theta energy: -23.525
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: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -327.059553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.059553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.059553 (E_RNA)
where:
Base-Base interactions energy: -220.394
where: short stacking energy: -99.380
Base-Backbone interact. energy: -0.147
local terms energy: -106.518139
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -27.491
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: 237
Temperature: 1.000000
Total energy: -283.587705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.587705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.587705 (E_RNA)
where:
Base-Base interactions energy: -173.262
where: short stacking energy: -95.419
Base-Backbone interact. energy: 0.015
local terms energy: -110.341278
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -29.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -291.700581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.700581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.700581 (E_RNA)
where:
Base-Base interactions energy: -187.099
where: short stacking energy: -82.861
Base-Backbone interact. energy: -1.122
local terms energy: -103.478894
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -25.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -211.937360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.937360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.937360 (E_RNA)
where:
Base-Base interactions energy: -125.733
where: short stacking energy: -65.313
Base-Backbone interact. energy: -1.382
local terms energy: -84.821560
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -7.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -176.939719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.939719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.939719 (E_RNA)
where:
Base-Base interactions energy: -84.538
where: short stacking energy: -63.874
Base-Backbone interact. energy: -0.505
local terms energy: -91.897609
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -120.730857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.730857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.730857 (E_RNA)
where:
Base-Base interactions energy: -47.933
where: short stacking energy: -47.496
Base-Backbone interact. energy: -0.259
local terms energy: -72.538846
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -115.211580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.211580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.211580 (E_RNA)
where:
Base-Base interactions energy: -44.178
where: short stacking energy: -39.282
Base-Backbone interact. energy: -1.343
local terms energy: -69.690677
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -1.863
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: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -120.314163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.314163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.314163 (E_RNA)
where:
Base-Base interactions energy: -54.635
where: short stacking energy: -44.777
Base-Backbone interact. energy: -0.349
local terms energy: -65.329915
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -3.613
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -8.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -113.926746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.926746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.926746 (E_RNA)
where:
Base-Base interactions energy: -41.222
where: short stacking energy: -41.747
Base-Backbone interact. energy: -2.010
local terms energy: -70.694428
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -326.015011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.015011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.015011 (E_RNA)
where:
Base-Base interactions energy: -224.392
where: short stacking energy: -101.888
Base-Backbone interact. energy: -0.217
local terms energy: -101.405916
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -21.375
flat angles P-C4'-P energy: -18.227
tors. eta vs tors. theta energy: -26.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -325.882571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.882571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.882571 (E_RNA)
where:
Base-Base interactions energy: -222.914
where: short stacking energy: -95.469
Base-Backbone interact. energy: -0.142
local terms energy: -102.826400
where:
bonds (distance) C4'-P energy: -20.544
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -25.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -297.699382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.699382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.699382 (E_RNA)
where:
Base-Base interactions energy: -194.084
where: short stacking energy: -85.985
Base-Backbone interact. energy: 0.378
local terms energy: -103.993350
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -20.482
flat angles P-C4'-P energy: -17.058
tors. eta vs tors. theta energy: -28.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -268.594846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.594846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.594846 (E_RNA)
where:
Base-Base interactions energy: -175.100
where: short stacking energy: -84.369
Base-Backbone interact. energy: 1.723
local terms energy: -95.218385
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -12.891
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: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -170.173403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.173403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.173403 (E_RNA)
where:
Base-Base interactions energy: -88.427
where: short stacking energy: -60.571
Base-Backbone interact. energy: -1.300
local terms energy: -80.446553
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -14.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -129.034310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.034310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.034310 (E_RNA)
where:
Base-Base interactions energy: -51.907
where: short stacking energy: -33.678
Base-Backbone interact. energy: -0.108
local terms energy: -77.018974
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -4.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -129.096104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.096104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.096104 (E_RNA)
where:
Base-Base interactions energy: -47.770
where: short stacking energy: -42.170
Base-Backbone interact. energy: -1.029
local terms energy: -80.297361
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -14.565
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: 2
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -108.243711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.243711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.243711 (E_RNA)
where:
Base-Base interactions energy: -48.777
where: short stacking energy: -32.798
Base-Backbone interact. energy: -0.447
local terms energy: -59.019815
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -12.300
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: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -111.372315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.372315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.372315 (E_RNA)
where:
Base-Base interactions energy: -49.607
where: short stacking energy: -42.778
Base-Backbone interact. energy: -0.299
local terms energy: -61.466799
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -124.013237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.013237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.013237 (E_RNA)
where:
Base-Base interactions energy: -54.813
where: short stacking energy: -31.348
Base-Backbone interact. energy: -0.385
local terms energy: -68.814966
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -13.407
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: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -318.570088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.570088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.570088 (E_RNA)
where:
Base-Base interactions energy: -208.617
where: short stacking energy: -97.869
Base-Backbone interact. energy: 0.309
local terms energy: -110.262902
where:
bonds (distance) C4'-P energy: -23.117
bonds (distance) P-C4' energy: -22.717
flat angles C4'-P-C4' energy: -23.706
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -25.396
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: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -296.660875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.660875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.660875 (E_RNA)
where:
Base-Base interactions energy: -184.985
where: short stacking energy: -87.418
Base-Backbone interact. energy: 0.952
local terms energy: -112.628679
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -24.235
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -27.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -315.792873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.792873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.792873 (E_RNA)
where:
Base-Base interactions energy: -215.245
where: short stacking energy: -96.553
Base-Backbone interact. energy: -0.291
local terms energy: -100.256504
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -26.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -257.330590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.330590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.330590 (E_RNA)
where:
Base-Base interactions energy: -160.628
where: short stacking energy: -78.499
Base-Backbone interact. energy: -0.037
local terms energy: -96.665600
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -24.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -204.224239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.224239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.224239 (E_RNA)
where:
Base-Base interactions energy: -122.911
where: short stacking energy: -60.862
Base-Backbone interact. energy: -1.043
local terms energy: -80.270237
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -6.429
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -123.767312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.767312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.767312 (E_RNA)
where:
Base-Base interactions energy: -45.910
where: short stacking energy: -39.819
Base-Backbone interact. energy: 0.630
local terms energy: -78.487608
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -6.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -131.951070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.951070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.951070 (E_RNA)
where:
Base-Base interactions energy: -56.129
where: short stacking energy: -29.085
Base-Backbone interact. energy: -0.148
local terms energy: -75.674734
where:
bonds (distance) C4'-P energy: -20.018
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -16.524
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: 239
Temperature: 1.250000
Total energy: -146.256865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.256865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.256865 (E_RNA)
where:
Base-Base interactions energy: -79.802
where: short stacking energy: -54.778
Base-Backbone interact. energy: -0.888
local terms energy: -65.566875
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -3.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -117.363037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.363037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.363037 (E_RNA)
where:
Base-Base interactions energy: -51.724
where: short stacking energy: -46.663
Base-Backbone interact. energy: -0.071
local terms energy: -65.567607
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -13.320
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: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -114.145223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.145223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.145223 (E_RNA)
where:
Base-Base interactions energy: -56.179
where: short stacking energy: -43.242
Base-Backbone interact. energy: -0.247
local terms energy: -57.719504
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -315.875278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.875278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.875278 (E_RNA)
where:
Base-Base interactions energy: -210.150
where: short stacking energy: -99.735
Base-Backbone interact. energy: -0.037
local terms energy: -105.688573
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -22.371
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -31.592
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: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -320.517100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.517100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.517100 (E_RNA)
where:
Base-Base interactions energy: -216.650
where: short stacking energy: -87.367
Base-Backbone interact. energy: -0.383
local terms energy: -103.484278
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -23.679
flat angles P-C4'-P energy: -15.836
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: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -303.416881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.416881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.416881 (E_RNA)
where:
Base-Base interactions energy: -197.586
where: short stacking energy: -95.336
Base-Backbone interact. energy: -0.908
local terms energy: -104.922880
where:
bonds (distance) C4'-P energy: -20.735
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -32.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -267.367499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.367499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.367499 (E_RNA)
where:
Base-Base interactions energy: -171.252
where: short stacking energy: -90.295
Base-Backbone interact. energy: -0.130
local terms energy: -95.986137
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -25.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -201.459753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.459753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.459753 (E_RNA)
where:
Base-Base interactions energy: -109.233
where: short stacking energy: -60.659
Base-Backbone interact. energy: -0.044
local terms energy: -92.182762
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -21.286
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -119.072733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.072733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.072733 (E_RNA)
where:
Base-Base interactions energy: -47.694
where: short stacking energy: -47.219
Base-Backbone interact. energy: -0.851
local terms energy: -70.527656
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -141.872912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.872912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.872912 (E_RNA)
where:
Base-Base interactions energy: -75.311
where: short stacking energy: -42.654
Base-Backbone interact. energy: -0.706
local terms energy: -65.855714
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -3.549
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: 240
Temperature: 1.250000
Total energy: -126.310825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.310825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.310825 (E_RNA)
where:
Base-Base interactions energy: -61.544
where: short stacking energy: -23.194
Base-Backbone interact. energy: -0.548
local terms energy: -64.218702
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: 0.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -102.229625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.229625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.229625 (E_RNA)
where:
Base-Base interactions energy: -23.056
where: short stacking energy: -23.056
Base-Backbone interact. energy: -1.279
local terms energy: -77.895115
where:
bonds (distance) C4'-P energy: -20.709
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -7.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -103.740295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.740295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.740295 (E_RNA)
where:
Base-Base interactions energy: -49.476
where: short stacking energy: -29.290
Base-Backbone interact. energy: 0.558
local terms energy: -54.822074
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -291.471959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.471959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.471959 (E_RNA)
where:
Base-Base interactions energy: -194.123
where: short stacking energy: -98.087
Base-Backbone interact. energy: -0.019
local terms energy: -97.329550
where:
bonds (distance) C4'-P energy: -22.749
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -21.229
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: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -306.401529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.401529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.401529 (E_RNA)
where:
Base-Base interactions energy: -204.862
where: short stacking energy: -82.406
Base-Backbone interact. energy: -0.600
local terms energy: -100.938705
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -24.369
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -22.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -308.802896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.802896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.802896 (E_RNA)
where:
Base-Base interactions energy: -207.423
where: short stacking energy: -79.844
Base-Backbone interact. energy: -0.515
local terms energy: -100.864294
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -272.902033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.902033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.902033 (E_RNA)
where:
Base-Base interactions energy: -164.429
where: short stacking energy: -92.559
Base-Backbone interact. energy: -0.166
local terms energy: -108.307196
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -22.721
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -26.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -211.273821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.273821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.273821 (E_RNA)
where:
Base-Base interactions energy: -135.466
where: short stacking energy: -58.483
Base-Backbone interact. energy: 0.559
local terms energy: -76.366833
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -10.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -173.054456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.054456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.054456 (E_RNA)
where:
Base-Base interactions energy: -96.460
where: short stacking energy: -48.142
Base-Backbone interact. energy: -1.517
local terms energy: -75.077011
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -119.131774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.131774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.131774 (E_RNA)
where:
Base-Base interactions energy: -48.496
where: short stacking energy: -42.517
Base-Backbone interact. energy: -0.469
local terms energy: -70.166683
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -125.489306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.489306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.489306 (E_RNA)
where:
Base-Base interactions energy: -53.943
where: short stacking energy: -50.234
Base-Backbone interact. energy: -0.044
local terms energy: -71.501611
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -5.463
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: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -131.922368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.922368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.922368 (E_RNA)
where:
Base-Base interactions energy: -72.606
where: short stacking energy: -45.669
Base-Backbone interact. energy: 0.305
local terms energy: -59.621740
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -105.509800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.509800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.509800 (E_RNA)
where:
Base-Base interactions energy: -34.985
where: short stacking energy: -34.474
Base-Backbone interact. energy: -0.929
local terms energy: -69.595666
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -20.075
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -319.104331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.104331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.104331 (E_RNA)
where:
Base-Base interactions energy: -216.071
where: short stacking energy: -91.829
Base-Backbone interact. energy: 2.248
local terms energy: -105.281106
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -25.102
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -26.012
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: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -281.925068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.925068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.925068 (E_RNA)
where:
Base-Base interactions energy: -174.609
where: short stacking energy: -77.520
Base-Backbone interact. energy: 0.125
local terms energy: -107.440910
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -23.966
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -24.895
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: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -302.491921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.491921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.491921 (E_RNA)
where:
Base-Base interactions energy: -210.902
where: short stacking energy: -89.635
Base-Backbone interact. energy: 0.819
local terms energy: -92.409074
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -254.716971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.716971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.716971 (E_RNA)
where:
Base-Base interactions energy: -159.139
where: short stacking energy: -74.547
Base-Backbone interact. energy: -0.059
local terms energy: -95.518492
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -17.063
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -218.392679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.392679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.392679 (E_RNA)
where:
Base-Base interactions energy: -130.662
where: short stacking energy: -67.563
Base-Backbone interact. energy: -0.150
local terms energy: -87.580315
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -14.798
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: 242
Temperature: 1.150000
Total energy: -174.432273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.432273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.432273 (E_RNA)
where:
Base-Base interactions energy: -91.005
where: short stacking energy: -55.100
Base-Backbone interact. energy: -0.878
local terms energy: -82.549563
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -130.947787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.947787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.947787 (E_RNA)
where:
Base-Base interactions energy: -49.984
where: short stacking energy: -45.308
Base-Backbone interact. energy: -0.120
local terms energy: -80.844045
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -116.524245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.524245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.524245 (E_RNA)
where:
Base-Base interactions energy: -48.565
where: short stacking energy: -44.867
Base-Backbone interact. energy: -0.105
local terms energy: -67.854473
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -104.516979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.516979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.516979 (E_RNA)
where:
Base-Base interactions energy: -42.185
where: short stacking energy: -41.800
Base-Backbone interact. energy: -0.313
local terms energy: -62.019102
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -4.413
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: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -102.593933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.593933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.593933 (E_RNA)
where:
Base-Base interactions energy: -49.835
where: short stacking energy: -42.013
Base-Backbone interact. energy: -0.164
local terms energy: -52.594559
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -0.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -336.355667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.355667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.355667 (E_RNA)
where:
Base-Base interactions energy: -227.647
where: short stacking energy: -98.496
Base-Backbone interact. energy: -0.931
local terms energy: -107.776886
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -29.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -318.589697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.589697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.589697 (E_RNA)
where:
Base-Base interactions energy: -215.128
where: short stacking energy: -94.796
Base-Backbone interact. energy: -0.201
local terms energy: -103.260364
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -25.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -294.834219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.834219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.834219 (E_RNA)
where:
Base-Base interactions energy: -201.120
where: short stacking energy: -84.110
Base-Backbone interact. energy: -1.310
local terms energy: -92.404215
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -22.052
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -23.369
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: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -275.719808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.719808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.719808 (E_RNA)
where:
Base-Base interactions energy: -170.812
where: short stacking energy: -89.399
Base-Backbone interact. energy: 0.008
local terms energy: -104.916067
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -27.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -222.682366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.682366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.682366 (E_RNA)
where:
Base-Base interactions energy: -140.824
where: short stacking energy: -69.293
Base-Backbone interact. energy: -1.450
local terms energy: -80.408950
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -18.242
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -17.062
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: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -143.390255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.390255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.390255 (E_RNA)
where:
Base-Base interactions energy: -66.313
where: short stacking energy: -40.912
Base-Backbone interact. energy: -1.111
local terms energy: -75.966122
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -155.018232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.018232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.018232 (E_RNA)
where:
Base-Base interactions energy: -82.951
where: short stacking energy: -47.681
Base-Backbone interact. energy: -1.083
local terms energy: -70.984330
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -116.178621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.178621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.178621 (E_RNA)
where:
Base-Base interactions energy: -54.535
where: short stacking energy: -43.695
Base-Backbone interact. energy: -0.483
local terms energy: -61.161422
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -6.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -117.547565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.547565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.547565 (E_RNA)
where:
Base-Base interactions energy: -53.997
where: short stacking energy: -51.393
Base-Backbone interact. energy: -0.964
local terms energy: -62.585843
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -8.931
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: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -117.470101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.470101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.470101 (E_RNA)
where:
Base-Base interactions energy: -41.084
where: short stacking energy: -41.184
Base-Backbone interact. energy: -0.312
local terms energy: -76.073939
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -5.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -321.339267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.339267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.339267 (E_RNA)
where:
Base-Base interactions energy: -215.556
where: short stacking energy: -94.282
Base-Backbone interact. energy: -0.232
local terms energy: -105.551187
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -24.153
flat angles C4'-P-C4' energy: -20.881
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -27.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -322.288958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.288958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.288958 (E_RNA)
where:
Base-Base interactions energy: -212.897
where: short stacking energy: -94.236
Base-Backbone interact. energy: -0.540
local terms energy: -108.851833
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -23.951
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -25.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -302.611538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.611538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.611538 (E_RNA)
where:
Base-Base interactions energy: -194.214
where: short stacking energy: -84.913
Base-Backbone interact. energy: -0.007
local terms energy: -108.389930
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -23.825
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -25.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -253.459122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.459122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.459122 (E_RNA)
where:
Base-Base interactions energy: -151.661
where: short stacking energy: -75.769
Base-Backbone interact. energy: -0.148
local terms energy: -101.649972
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -26.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -233.717533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.717533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.717533 (E_RNA)
where:
Base-Base interactions energy: -150.548
where: short stacking energy: -73.941
Base-Backbone interact. energy: -0.403
local terms energy: -82.765650
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -196.901882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.901882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.901882 (E_RNA)
where:
Base-Base interactions energy: -122.377
where: short stacking energy: -53.816
Base-Backbone interact. energy: -1.060
local terms energy: -73.465352
where:
bonds (distance) C4'-P energy: -19.223
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -10.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -141.900128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.900128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.900128 (E_RNA)
where:
Base-Base interactions energy: -70.145
where: short stacking energy: -41.529
Base-Backbone interact. energy: -0.858
local terms energy: -70.896715
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -0.889
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: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -132.354061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.354061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.354061 (E_RNA)
where:
Base-Base interactions energy: -46.995
where: short stacking energy: -38.823
Base-Backbone interact. energy: -0.191
local terms energy: -85.168079
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -20.212
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -11.580
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: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -122.035330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.035330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.035330 (E_RNA)
where:
Base-Base interactions energy: -55.360
where: short stacking energy: -40.873
Base-Backbone interact. energy: -0.746
local terms energy: -65.929129
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -102.588816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.588816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.588816 (E_RNA)
where:
Base-Base interactions energy: -39.224
where: short stacking energy: -39.224
Base-Backbone interact. energy: -0.130
local terms energy: -63.235493
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -15.091
tors. eta vs tors. theta energy: 2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -323.162111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.162111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.162111 (E_RNA)
where:
Base-Base interactions energy: -209.784
where: short stacking energy: -97.660
Base-Backbone interact. energy: -0.198
local terms energy: -113.179778
where:
bonds (distance) C4'-P energy: -20.728
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -24.438
flat angles P-C4'-P energy: -15.590
tors. eta vs tors. theta energy: -28.887
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: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -312.255599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.255599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.255599 (E_RNA)
where:
Base-Base interactions energy: -202.013
where: short stacking energy: -97.715
Base-Backbone interact. energy: -0.220
local terms energy: -110.022493
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -24.851
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -29.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -285.593738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.593738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.593738 (E_RNA)
where:
Base-Base interactions energy: -186.542
where: short stacking energy: -90.270
Base-Backbone interact. energy: -0.031
local terms energy: -99.020696
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -22.836
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: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -257.405950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.405950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.405950 (E_RNA)
where:
Base-Base interactions energy: -160.978
where: short stacking energy: -83.570
Base-Backbone interact. energy: -0.003
local terms energy: -96.424495
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -27.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -235.522891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.522891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.522891 (E_RNA)
where:
Base-Base interactions energy: -148.689
where: short stacking energy: -69.645
Base-Backbone interact. energy: -0.613
local terms energy: -86.220759
where:
bonds (distance) C4'-P energy: -19.820
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -18.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -166.045465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.045465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.045465 (E_RNA)
where:
Base-Base interactions energy: -85.818
where: short stacking energy: -55.265
Base-Backbone interact. energy: -0.341
local terms energy: -79.886392
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -6.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -197.143719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.143719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.143719 (E_RNA)
where:
Base-Base interactions energy: -118.763
where: short stacking energy: -56.636
Base-Backbone interact. energy: -0.839
local terms energy: -77.541378
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -15.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -112.449403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.449403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.449403 (E_RNA)
where:
Base-Base interactions energy: -43.421
where: short stacking energy: -33.679
Base-Backbone interact. energy: -0.689
local terms energy: -68.339280
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -11.670
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: 9, replica: 2
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -99.305439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.305439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.305439 (E_RNA)
where:
Base-Base interactions energy: -34.251
where: short stacking energy: -33.270
Base-Backbone interact. energy: -0.372
local terms energy: -64.682503
where:
bonds (distance) C4'-P energy: -19.701
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -7.715
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: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -111.287370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.287370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.287370 (E_RNA)
where:
Base-Base interactions energy: -43.575
where: short stacking energy: -32.017
Base-Backbone interact. energy: -0.139
local terms energy: -67.572663
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -337.875934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.875934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.875934 (E_RNA)
where:
Base-Base interactions energy: -224.218
where: short stacking energy: -102.367
Base-Backbone interact. energy: -0.259
local terms energy: -113.399227
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -25.110
flat angles P-C4'-P energy: -18.707
tors. eta vs tors. theta energy: -29.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -306.559608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.559608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.559608 (E_RNA)
where:
Base-Base interactions energy: -205.898
where: short stacking energy: -100.285
Base-Backbone interact. energy: -2.056
local terms energy: -98.605354
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -17.616
tors. eta vs tors. theta energy: -26.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -282.327729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.327729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.327729 (E_RNA)
where:
Base-Base interactions energy: -179.918
where: short stacking energy: -77.746
Base-Backbone interact. energy: 0.205
local terms energy: -102.614779
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -24.219
flat angles P-C4'-P energy: -15.545
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: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -270.729492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.729492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.729492 (E_RNA)
where:
Base-Base interactions energy: -167.761
where: short stacking energy: -87.013
Base-Backbone interact. energy: -0.056
local terms energy: -102.912275
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -27.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -250.608563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.608563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.608563 (E_RNA)
where:
Base-Base interactions energy: -158.664
where: short stacking energy: -81.992
Base-Backbone interact. energy: -1.877
local terms energy: -90.067666
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -21.728
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -22.691
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: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -168.058763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.058763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.058763 (E_RNA)
where:
Base-Base interactions energy: -87.376
where: short stacking energy: -58.241
Base-Backbone interact. energy: -0.872
local terms energy: -79.810678
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -22.986
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -7.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -184.581803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.581803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.581803 (E_RNA)
where:
Base-Base interactions energy: -120.764
where: short stacking energy: -64.361
Base-Backbone interact. energy: 0.105
local terms energy: -63.922583
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -8.784
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -11.724
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: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -114.968383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.968383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.968383 (E_RNA)
where:
Base-Base interactions energy: -47.834
where: short stacking energy: -41.142
Base-Backbone interact. energy: -0.190
local terms energy: -66.944174
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -4.299
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: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -116.332382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.332382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.332382 (E_RNA)
where:
Base-Base interactions energy: -49.806
where: short stacking energy: -40.910
Base-Backbone interact. energy: -0.142
local terms energy: -66.384633
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -102.143323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.143323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.143323 (E_RNA)
where:
Base-Base interactions energy: -45.524
where: short stacking energy: -42.446
Base-Backbone interact. energy: -0.246
local terms energy: -56.372725
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -326.161405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.161405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.161405 (E_RNA)
where:
Base-Base interactions energy: -217.106
where: short stacking energy: -104.897
Base-Backbone interact. energy: -0.187
local terms energy: -108.868551
where:
bonds (distance) C4'-P energy: -23.199
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -23.813
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -28.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -311.919057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.919057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.919057 (E_RNA)
where:
Base-Base interactions energy: -205.345
where: short stacking energy: -97.739
Base-Backbone interact. energy: -0.080
local terms energy: -106.494076
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -21.149
flat angles P-C4'-P energy: -14.813
tors. eta vs tors. theta energy: -29.534
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: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -277.196306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.196306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.196306 (E_RNA)
where:
Base-Base interactions energy: -185.121
where: short stacking energy: -86.470
Base-Backbone interact. energy: 0.569
local terms energy: -92.644067
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -27.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -264.093181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.093181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.093181 (E_RNA)
where:
Base-Base interactions energy: -172.846
where: short stacking energy: -78.318
Base-Backbone interact. energy: -0.110
local terms energy: -91.138080
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -21.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -255.516930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.516930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.516930 (E_RNA)
where:
Base-Base interactions energy: -157.974
where: short stacking energy: -87.878
Base-Backbone interact. energy: -0.119
local terms energy: -97.424137
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -21.042
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -24.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -171.821228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.821228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.821228 (E_RNA)
where:
Base-Base interactions energy: -104.538
where: short stacking energy: -50.018
Base-Backbone interact. energy: -0.526
local terms energy: -66.757458
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -18.993
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -156.466065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.466065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.466065 (E_RNA)
where:
Base-Base interactions energy: -81.527
where: short stacking energy: -40.487
Base-Backbone interact. energy: -0.259
local terms energy: -74.679904
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -6.494
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: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -120.457999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.457999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.457999 (E_RNA)
where:
Base-Base interactions energy: -52.317
where: short stacking energy: -43.686
Base-Backbone interact. energy: -0.567
local terms energy: -67.573767
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -124.751458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.751458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.751458 (E_RNA)
where:
Base-Base interactions energy: -53.676
where: short stacking energy: -30.499
Base-Backbone interact. energy: -0.165
local terms energy: -70.910645
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -7.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -115.127970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.127970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.127970 (E_RNA)
where:
Base-Base interactions energy: -42.369
where: short stacking energy: -40.974
Base-Backbone interact. energy: -0.073
local terms energy: -72.685258
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -7.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -332.877255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.877255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.877255 (E_RNA)
where:
Base-Base interactions energy: -218.736
where: short stacking energy: -105.342
Base-Backbone interact. energy: -2.152
local terms energy: -111.989076
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -20.623
tors. eta vs tors. theta energy: -30.588
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: 10
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -316.461373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.461373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.461373 (E_RNA)
where:
Base-Base interactions energy: -211.438
where: short stacking energy: -96.025
Base-Backbone interact. energy: -0.730
local terms energy: -104.293470
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -28.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -302.054833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.054833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.054833 (E_RNA)
where:
Base-Base interactions energy: -200.477
where: short stacking energy: -95.719
Base-Backbone interact. energy: 0.118
local terms energy: -101.694976
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -27.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -265.493345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.493345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.493345 (E_RNA)
where:
Base-Base interactions energy: -170.414
where: short stacking energy: -83.993
Base-Backbone interact. energy: -0.674
local terms energy: -94.405217
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -18.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -254.662137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.662137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.662137 (E_RNA)
where:
Base-Base interactions energy: -151.458
where: short stacking energy: -80.064
Base-Backbone interact. energy: -0.003
local terms energy: -103.200997
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -21.819
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -26.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -183.853482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.853482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.853482 (E_RNA)
where:
Base-Base interactions energy: -96.303
where: short stacking energy: -58.653
Base-Backbone interact. energy: -2.043
local terms energy: -85.507953
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: -17.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -138.999447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.999447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.999447 (E_RNA)
where:
Base-Base interactions energy: -70.241
where: short stacking energy: -51.813
Base-Backbone interact. energy: -1.449
local terms energy: -67.308826
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -18.521
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -125.917884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.917884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.917884 (E_RNA)
where:
Base-Base interactions energy: -56.444
where: short stacking energy: -47.810
Base-Backbone interact. energy: -0.465
local terms energy: -69.008672
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -23.830
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -11.815
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: 2
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -105.769090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.769090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.769090 (E_RNA)
where:
Base-Base interactions energy: -48.867
where: short stacking energy: -39.429
Base-Backbone interact. energy: -0.171
local terms energy: -56.731037
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -21.054
flat angles C4'-P-C4' energy: -3.087
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -6.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -96.964742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.964742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.964742 (E_RNA)
where:
Base-Base interactions energy: -35.283
where: short stacking energy: -34.217
Base-Backbone interact. energy: -0.419
local terms energy: -61.263118
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: 3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -332.944334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.944334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.944334 (E_RNA)
where:
Base-Base interactions energy: -221.214
where: short stacking energy: -105.342
Base-Backbone interact. energy: -0.869
local terms energy: -110.861335
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -30.588
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: 10
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -318.995171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.995171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.995171 (E_RNA)
where:
Base-Base interactions energy: -215.870
where: short stacking energy: -92.699
Base-Backbone interact. energy: -0.204
local terms energy: -102.920534
where:
bonds (distance) C4'-P energy: -19.845
bonds (distance) P-C4' energy: -21.009
flat angles C4'-P-C4' energy: -21.126
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -26.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -291.495159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.495159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.495159 (E_RNA)
where:
Base-Base interactions energy: -189.149
where: short stacking energy: -87.123
Base-Backbone interact. energy: -0.101
local terms energy: -102.245109
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -22.107
flat angles P-C4'-P energy: -17.021
tors. eta vs tors. theta energy: -26.494
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: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -255.419479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.419479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.419479 (E_RNA)
where:
Base-Base interactions energy: -165.610
where: short stacking energy: -85.227
Base-Backbone interact. energy: -0.154
local terms energy: -89.655986
where:
bonds (distance) C4'-P energy: -21.153
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -231.889021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.889021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.889021 (E_RNA)
where:
Base-Base interactions energy: -143.741
where: short stacking energy: -68.909
Base-Backbone interact. energy: -0.320
local terms energy: -87.827956
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -20.908
flat angles P-C4'-P energy: -14.603
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: 6, replica: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -169.498807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.498807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.498807 (E_RNA)
where:
Base-Base interactions energy: -93.635
where: short stacking energy: -55.913
Base-Backbone interact. energy: 0.263
local terms energy: -76.127167
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -132.032466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.032466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.032466 (E_RNA)
where:
Base-Base interactions energy: -60.211
where: short stacking energy: -38.124
Base-Backbone interact. energy: -0.290
local terms energy: -71.530909
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -21.818
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -112.875500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.875500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.875500 (E_RNA)
where:
Base-Base interactions energy: -56.193
where: short stacking energy: -36.326
Base-Backbone interact. energy: 3.626
local terms energy: -60.307981
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -101.258133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.258133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.258133 (E_RNA)
where:
Base-Base interactions energy: -40.576
where: short stacking energy: -38.823
Base-Backbone interact. energy: 0.094
local terms energy: -60.775978
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -106.114557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.114557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.114557 (E_RNA)
where:
Base-Base interactions energy: -50.899
where: short stacking energy: -32.654
Base-Backbone interact. energy: -0.612
local terms energy: -54.603956
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -316.631245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.631245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.631245 (E_RNA)
where:
Base-Base interactions energy: -213.277
where: short stacking energy: -100.601
Base-Backbone interact. energy: 1.662
local terms energy: -105.016041
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -19.948
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -29.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -317.618966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.618966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.618966 (E_RNA)
where:
Base-Base interactions energy: -209.787
where: short stacking energy: -97.781
Base-Backbone interact. energy: -0.556
local terms energy: -107.275803
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -29.693
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: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -298.153718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.153718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.153718 (E_RNA)
where:
Base-Base interactions energy: -192.997
where: short stacking energy: -96.282
Base-Backbone interact. energy: -0.083
local terms energy: -105.073936
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -31.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -272.324688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.324688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.324688 (E_RNA)
where:
Base-Base interactions energy: -173.457
where: short stacking energy: -86.998
Base-Backbone interact. energy: -0.389
local terms energy: -98.478234
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -21.928
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -25.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -231.697955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.697955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.697955 (E_RNA)
where:
Base-Base interactions energy: -145.419
where: short stacking energy: -72.556
Base-Backbone interact. energy: -0.179
local terms energy: -86.099716
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -22.787
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -162.985108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.985108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.985108 (E_RNA)
where:
Base-Base interactions energy: -83.756
where: short stacking energy: -54.580
Base-Backbone interact. energy: -0.369
local terms energy: -78.860397
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -18.750
tors. eta vs tors. theta energy: -10.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -152.342064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.342064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.342064 (E_RNA)
where:
Base-Base interactions energy: -77.309
where: short stacking energy: -48.944
Base-Backbone interact. energy: -0.238
local terms energy: -74.795711
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -10.935
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: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -121.958335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.958335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.958335 (E_RNA)
where:
Base-Base interactions energy: -45.454
where: short stacking energy: -37.064
Base-Backbone interact. energy: -0.159
local terms energy: -76.345536
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -109.134618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.134618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.134618 (E_RNA)
where:
Base-Base interactions energy: -44.637
where: short stacking energy: -34.362
Base-Backbone interact. energy: -0.620
local terms energy: -63.877051
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: 1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -114.691463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.691463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.691463 (E_RNA)
where:
Base-Base interactions energy: -46.595
where: short stacking energy: -39.004
Base-Backbone interact. energy: 0.821
local terms energy: -68.917358
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -312.810617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.810617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.810617 (E_RNA)
where:
Base-Base interactions energy: -208.185
where: short stacking energy: -90.715
Base-Backbone interact. energy: -0.095
local terms energy: -104.530719
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -22.463
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -21.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -310.975138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.975138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.975138 (E_RNA)
where:
Base-Base interactions energy: -206.768
where: short stacking energy: -97.292
Base-Backbone interact. energy: -0.214
local terms energy: -103.993260
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -23.020
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -30.676
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: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -292.949804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.949804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.949804 (E_RNA)
where:
Base-Base interactions energy: -192.413
where: short stacking energy: -84.576
Base-Backbone interact. energy: -0.162
local terms energy: -100.374766
where:
bonds (distance) C4'-P energy: -24.762
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -21.833
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: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -247.307752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.307752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.307752 (E_RNA)
where:
Base-Base interactions energy: -168.175
where: short stacking energy: -79.172
Base-Backbone interact. energy: -0.575
local terms energy: -78.557883
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -21.338
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: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -259.888786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.888786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.888786 (E_RNA)
where:
Base-Base interactions energy: -162.315
where: short stacking energy: -87.706
Base-Backbone interact. energy: -0.976
local terms energy: -96.597557
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -12.586
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: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -178.351312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.351312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.351312 (E_RNA)
where:
Base-Base interactions energy: -102.443
where: short stacking energy: -52.190
Base-Backbone interact. energy: -0.054
local terms energy: -75.853677
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -6.195
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: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -175.142405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.142405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.142405 (E_RNA)
where:
Base-Base interactions energy: -106.620
where: short stacking energy: -55.814
Base-Backbone interact. energy: 0.991
local terms energy: -69.513384
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -21.749
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -9.891
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: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -119.607283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.607283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.607283 (E_RNA)
where:
Base-Base interactions energy: -54.778
where: short stacking energy: -47.632
Base-Backbone interact. energy: -0.402
local terms energy: -64.427729
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -106.277379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.277379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.277379 (E_RNA)
where:
Base-Base interactions energy: -47.493
where: short stacking energy: -42.002
Base-Backbone interact. energy: -0.266
local terms energy: -58.518093
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -19.698
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -114.241016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.241016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.241016 (E_RNA)
where:
Base-Base interactions energy: -39.547
where: short stacking energy: -32.758
Base-Backbone interact. energy: 1.855
local terms energy: -76.549841
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -317.702427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.702427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.702427 (E_RNA)
where:
Base-Base interactions energy: -203.820
where: short stacking energy: -95.348
Base-Backbone interact. energy: 0.052
local terms energy: -113.934608
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -26.101
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -28.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -311.213158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.213158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.213158 (E_RNA)
where:
Base-Base interactions energy: -200.343
where: short stacking energy: -93.630
Base-Backbone interact. energy: -0.971
local terms energy: -109.898803
where:
bonds (distance) C4'-P energy: -24.299
bonds (distance) P-C4' energy: -20.082
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -27.895
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: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -300.045561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.045561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.045561 (E_RNA)
where:
Base-Base interactions energy: -197.689
where: short stacking energy: -86.668
Base-Backbone interact. energy: -0.003
local terms energy: -102.353361
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -26.707
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: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -267.817816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.817816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.817816 (E_RNA)
where:
Base-Base interactions energy: -159.898
where: short stacking energy: -80.166
Base-Backbone interact. energy: -0.066
local terms energy: -107.853504
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -23.818
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -29.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -255.366371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.366371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.366371 (E_RNA)
where:
Base-Base interactions energy: -156.322
where: short stacking energy: -80.692
Base-Backbone interact. energy: -0.095
local terms energy: -98.949614
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -21.271
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: 252
Temperature: 1.150000
Total energy: -174.817172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.817172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.817172 (E_RNA)
where:
Base-Base interactions energy: -92.374
where: short stacking energy: -50.515
Base-Backbone interact. energy: -0.127
local terms energy: -82.315785
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -7.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -202.067279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.067279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.067279 (E_RNA)
where:
Base-Base interactions energy: -117.464
where: short stacking energy: -66.850
Base-Backbone interact. energy: -0.709
local terms energy: -83.894615
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -16.373
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: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -121.633485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.633485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.633485 (E_RNA)
where:
Base-Base interactions energy: -53.171
where: short stacking energy: -51.221
Base-Backbone interact. energy: -0.349
local terms energy: -68.113286
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -109.281806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.281806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.281806 (E_RNA)
where:
Base-Base interactions energy: -55.396
where: short stacking energy: -29.407
Base-Backbone interact. energy: -0.125
local terms energy: -53.761661
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -0.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -116.785163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.785163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.785163 (E_RNA)
where:
Base-Base interactions energy: -58.582
where: short stacking energy: -44.958
Base-Backbone interact. energy: -0.060
local terms energy: -58.142765
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -5.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -309.263433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.263433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.263433 (E_RNA)
where:
Base-Base interactions energy: -212.415
where: short stacking energy: -92.677
Base-Backbone interact. energy: -0.172
local terms energy: -96.676248
where:
bonds (distance) C4'-P energy: -20.425
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -307.504718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.504718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.504718 (E_RNA)
where:
Base-Base interactions energy: -202.080
where: short stacking energy: -95.640
Base-Backbone interact. energy: -0.282
local terms energy: -105.142617
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -21.719
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -23.902
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: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -306.224592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.224592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.224592 (E_RNA)
where:
Base-Base interactions energy: -205.070
where: short stacking energy: -90.724
Base-Backbone interact. energy: -0.464
local terms energy: -100.690626
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -23.923
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -24.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -260.970670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.970670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.970670 (E_RNA)
where:
Base-Base interactions energy: -162.206
where: short stacking energy: -77.546
Base-Backbone interact. energy: 0.012
local terms energy: -98.776325
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -251.664225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.664225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.664225 (E_RNA)
where:
Base-Base interactions energy: -159.591
where: short stacking energy: -75.709
Base-Backbone interact. energy: -0.134
local terms energy: -91.939856
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -13.858
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: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -194.799274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.799274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.799274 (E_RNA)
where:
Base-Base interactions energy: -100.301
where: short stacking energy: -69.748
Base-Backbone interact. energy: -0.091
local terms energy: -94.407492
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -23.688
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -23.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -158.077572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.077572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.077572 (E_RNA)
where:
Base-Base interactions energy: -81.461
where: short stacking energy: -46.757
Base-Backbone interact. energy: -0.164
local terms energy: -76.453134
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -6.995
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: 8, replica: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -126.548702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.548702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.548702 (E_RNA)
where:
Base-Base interactions energy: -53.849
where: short stacking energy: -53.849
Base-Backbone interact. energy: -0.217
local terms energy: -72.482920
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -4.876
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: 253
Temperature: 1.300000
Total energy: -152.581569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.581569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.581569 (E_RNA)
where:
Base-Base interactions energy: -80.684
where: short stacking energy: -58.333
Base-Backbone interact. energy: -0.342
local terms energy: -71.555578
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -10.932
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: 10, replica: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -98.192534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.192534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.192534 (E_RNA)
where:
Base-Base interactions energy: -38.558
where: short stacking energy: -34.719
Base-Backbone interact. energy: -1.420
local terms energy: -58.214946
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -310.781957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.781957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.781957 (E_RNA)
where:
Base-Base interactions energy: -203.916
where: short stacking energy: -87.076
Base-Backbone interact. energy: -0.925
local terms energy: -105.941173
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -18.879
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -24.937
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: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -302.372380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.372380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.372380 (E_RNA)
where:
Base-Base interactions energy: -198.390
where: short stacking energy: -91.217
Base-Backbone interact. energy: -0.005
local terms energy: -103.977064
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -23.553
flat angles C4'-P-C4' energy: -24.967
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -23.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -294.101736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.101736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.101736 (E_RNA)
where:
Base-Base interactions energy: -187.394
where: short stacking energy: -95.005
Base-Backbone interact. energy: -0.841
local terms energy: -105.867269
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -26.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -253.057974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.057974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.057974 (E_RNA)
where:
Base-Base interactions energy: -158.422
where: short stacking energy: -84.589
Base-Backbone interact. energy: -0.725
local terms energy: -93.911215
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -23.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -226.181419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.181419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.181419 (E_RNA)
where:
Base-Base interactions energy: -134.558
where: short stacking energy: -68.488
Base-Backbone interact. energy: -0.369
local terms energy: -91.254119
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -173.395336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.395336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.395336 (E_RNA)
where:
Base-Base interactions energy: -95.695
where: short stacking energy: -55.671
Base-Backbone interact. energy: -0.124
local terms energy: -77.576396
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -7.791
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: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -122.712272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.712272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.712272 (E_RNA)
where:
Base-Base interactions energy: -46.791
where: short stacking energy: -46.791
Base-Backbone interact. energy: -0.208
local terms energy: -75.713113
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -8.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -141.193202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.193202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.193202 (E_RNA)
where:
Base-Base interactions energy: -74.205
where: short stacking energy: -42.916
Base-Backbone interact. energy: 1.046
local terms energy: -68.033774
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -20.346
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -123.265514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.265514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.265514 (E_RNA)
where:
Base-Base interactions energy: -46.584
where: short stacking energy: -43.041
Base-Backbone interact. energy: -0.228
local terms energy: -76.453137
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -121.885227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.885227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.885227 (E_RNA)
where:
Base-Base interactions energy: -59.814
where: short stacking energy: -29.764
Base-Backbone interact. energy: -0.390
local terms energy: -61.681282
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -330.656996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.656996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.656996 (E_RNA)
where:
Base-Base interactions energy: -224.394
where: short stacking energy: -100.284
Base-Backbone interact. energy: 0.084
local terms energy: -106.347128
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -20.156
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -28.301
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: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -301.402934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.402934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.402934 (E_RNA)
where:
Base-Base interactions energy: -197.118
where: short stacking energy: -94.364
Base-Backbone interact. energy: -1.120
local terms energy: -103.164829
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -20.902
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -24.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -295.476489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.476489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.476489 (E_RNA)
where:
Base-Base interactions energy: -195.918
where: short stacking energy: -89.619
Base-Backbone interact. energy: -0.624
local terms energy: -98.934986
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -21.536
flat angles C4'-P-C4' energy: -23.181
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -22.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -272.800708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.800708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.800708 (E_RNA)
where:
Base-Base interactions energy: -167.867
where: short stacking energy: -87.932
Base-Backbone interact. energy: -0.662
local terms energy: -104.271666
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -24.676
flat angles C4'-P-C4' energy: -23.747
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -22.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -260.725434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.725434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.725434 (E_RNA)
where:
Base-Base interactions energy: -161.810
where: short stacking energy: -73.691
Base-Backbone interact. energy: -0.230
local terms energy: -98.685032
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -170.088133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.088133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.088133 (E_RNA)
where:
Base-Base interactions energy: -87.541
where: short stacking energy: -46.023
Base-Backbone interact. energy: -1.707
local terms energy: -80.839948
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -9.485
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: 7, replica: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -123.153670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.153670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.153670 (E_RNA)
where:
Base-Base interactions energy: -56.021
where: short stacking energy: -42.918
Base-Backbone interact. energy: -0.164
local terms energy: -66.969341
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -116.658758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.658758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.658758 (E_RNA)
where:
Base-Base interactions energy: -47.960
where: short stacking energy: -23.357
Base-Backbone interact. energy: 0.779
local terms energy: -69.477114
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -121.582246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.582246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.582246 (E_RNA)
where:
Base-Base interactions energy: -53.887
where: short stacking energy: -48.938
Base-Backbone interact. energy: -0.459
local terms energy: -67.236929
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -8.971
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: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -120.653876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.653876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.653876 (E_RNA)
where:
Base-Base interactions energy: -48.667
where: short stacking energy: -24.382
Base-Backbone interact. energy: -0.917
local terms energy: -71.069381
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -318.296738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.296738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.296738 (E_RNA)
where:
Base-Base interactions energy: -216.231
where: short stacking energy: -106.422
Base-Backbone interact. energy: -0.259
local terms energy: -101.807314
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -30.485
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: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -316.970250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.970250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.970250 (E_RNA)
where:
Base-Base interactions energy: -207.089
where: short stacking energy: -89.810
Base-Backbone interact. energy: -1.591
local terms energy: -108.290549
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -25.129
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -27.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -270.649292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.649292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.649292 (E_RNA)
where:
Base-Base interactions energy: -174.151
where: short stacking energy: -82.277
Base-Backbone interact. energy: 0.109
local terms energy: -96.606629
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -22.057
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -22.172
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: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -285.517952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.517952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.517952 (E_RNA)
where:
Base-Base interactions energy: -190.748
where: short stacking energy: -88.289
Base-Backbone interact. energy: -0.111
local terms energy: -94.659064
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -24.116
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -22.996
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: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -235.297607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.297607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.297607 (E_RNA)
where:
Base-Base interactions energy: -151.854
where: short stacking energy: -73.128
Base-Backbone interact. energy: 1.374
local terms energy: -84.817224
where:
bonds (distance) C4'-P energy: -9.517
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -22.708
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -155.041669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.041669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.041669 (E_RNA)
where:
Base-Base interactions energy: -77.314
where: short stacking energy: -42.215
Base-Backbone interact. energy: -0.167
local terms energy: -77.561439
where:
bonds (distance) C4'-P energy: -22.078
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -139.882151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.882151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.882151 (E_RNA)
where:
Base-Base interactions energy: -66.655
where: short stacking energy: -42.908
Base-Backbone interact. energy: -0.482
local terms energy: -72.745092
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -13.316
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: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -107.142289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.142289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.142289 (E_RNA)
where:
Base-Base interactions energy: -35.913
where: short stacking energy: -34.472
Base-Backbone interact. energy: -0.396
local terms energy: -70.833475
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -5.542
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: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -119.884949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.884949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.884949 (E_RNA)
where:
Base-Base interactions energy: -58.049
where: short stacking energy: -28.727
Base-Backbone interact. energy: -0.033
local terms energy: -61.802773
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: 3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -99.795037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.795037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.795037 (E_RNA)
where:
Base-Base interactions energy: -37.335
where: short stacking energy: -22.395
Base-Backbone interact. energy: 2.670
local terms energy: -65.129133
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -20.411
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: 5.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -331.084623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.084623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.084623 (E_RNA)
where:
Base-Base interactions energy: -213.358
where: short stacking energy: -99.960
Base-Backbone interact. energy: -0.168
local terms energy: -117.557881
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -32.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -274.796268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.796268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.796268 (E_RNA)
where:
Base-Base interactions energy: -180.314
where: short stacking energy: -82.168
Base-Backbone interact. energy: 0.097
local terms energy: -94.578999
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -12.548
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: 10
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -317.512182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.512182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.512182 (E_RNA)
where:
Base-Base interactions energy: -209.238
where: short stacking energy: -86.432
Base-Backbone interact. energy: -0.110
local terms energy: -108.164611
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -24.741
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -24.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -285.568487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.568487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.568487 (E_RNA)
where:
Base-Base interactions energy: -191.955
where: short stacking energy: -89.533
Base-Backbone interact. energy: -0.038
local terms energy: -93.575728
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -7.078
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: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -201.263593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.263593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.263593 (E_RNA)
where:
Base-Base interactions energy: -121.887
where: short stacking energy: -55.128
Base-Backbone interact. energy: -0.228
local terms energy: -79.148715
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -202.018777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.018777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.018777 (E_RNA)
where:
Base-Base interactions energy: -112.262
where: short stacking energy: -60.561
Base-Backbone interact. energy: -0.386
local terms energy: -89.370530
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -26.940
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -10.341
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: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -125.051563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.051563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.051563 (E_RNA)
where:
Base-Base interactions energy: -52.865
where: short stacking energy: -48.124
Base-Backbone interact. energy: 0.374
local terms energy: -72.560467
where:
bonds (distance) C4'-P energy: -20.850
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -10.455
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: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -120.423124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.423124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.423124 (E_RNA)
where:
Base-Base interactions energy: -46.744
where: short stacking energy: -46.366
Base-Backbone interact. energy: 2.582
local terms energy: -76.260605
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -12.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -103.271483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.271483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.271483 (E_RNA)
where:
Base-Base interactions energy: -36.618
where: short stacking energy: -36.298
Base-Backbone interact. energy: -0.185
local terms energy: -66.469039
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -4.704
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: 2
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -116.577506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.577506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.577506 (E_RNA)
where:
Base-Base interactions energy: -54.912
where: short stacking energy: -40.717
Base-Backbone interact. energy: -0.922
local terms energy: -60.743599
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -322.956605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.956605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.956605 (E_RNA)
where:
Base-Base interactions energy: -215.465
where: short stacking energy: -97.095
Base-Backbone interact. energy: -0.619
local terms energy: -106.871821
where:
bonds (distance) C4'-P energy: -21.783
bonds (distance) P-C4' energy: -20.472
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -28.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -277.629296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.629296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.629296 (E_RNA)
where:
Base-Base interactions energy: -180.381
where: short stacking energy: -97.325
Base-Backbone interact. energy: -0.326
local terms energy: -96.922855
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -30.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -297.711017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.711017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.711017 (E_RNA)
where:
Base-Base interactions energy: -195.012
where: short stacking energy: -85.575
Base-Backbone interact. energy: -0.143
local terms energy: -102.555737
where:
bonds (distance) C4'-P energy: -23.696
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -25.127
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: 10
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -300.012993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.012993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.012993 (E_RNA)
where:
Base-Base interactions energy: -196.458
where: short stacking energy: -93.205
Base-Backbone interact. energy: 0.367
local terms energy: -103.922572
where:
bonds (distance) C4'-P energy: -22.147
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -16.806
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: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -218.314592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.314592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.314592 (E_RNA)
where:
Base-Base interactions energy: -129.399
where: short stacking energy: -67.618
Base-Backbone interact. energy: -0.507
local terms energy: -88.408973
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -16.835
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: 258
Temperature: 1.150000
Total energy: -197.367500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.367500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.367500 (E_RNA)
where:
Base-Base interactions energy: -122.411
where: short stacking energy: -75.332
Base-Backbone interact. energy: -0.442
local terms energy: -74.514605
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -123.662507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.662507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.662507 (E_RNA)
where:
Base-Base interactions energy: -49.637
where: short stacking energy: -36.282
Base-Backbone interact. energy: -0.064
local terms energy: -73.962012
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: 2.178
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: 258
Temperature: 1.250000
Total energy: -110.526105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.526105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.526105 (E_RNA)
where:
Base-Base interactions energy: -43.348
where: short stacking energy: -37.209
Base-Backbone interact. energy: -0.285
local terms energy: -66.893409
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -12.741
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: 9, replica: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -114.297269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.297269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.297269 (E_RNA)
where:
Base-Base interactions energy: -60.759
where: short stacking energy: -44.485
Base-Backbone interact. energy: 0.622
local terms energy: -54.160344
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -0.117
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: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -104.182260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.182260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.182260 (E_RNA)
where:
Base-Base interactions energy: -40.581
where: short stacking energy: -39.081
Base-Backbone interact. energy: 0.055
local terms energy: -63.655730
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -8.135
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: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -315.113174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.113174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.113174 (E_RNA)
where:
Base-Base interactions energy: -208.816
where: short stacking energy: -85.390
Base-Backbone interact. energy: -0.451
local terms energy: -105.845746
where:
bonds (distance) C4'-P energy: -22.218
bonds (distance) P-C4' energy: -21.449
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -24.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -301.471761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.471761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.471761 (E_RNA)
where:
Base-Base interactions energy: -199.651
where: short stacking energy: -87.331
Base-Backbone interact. energy: -0.032
local terms energy: -101.788886
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -23.278
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -24.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -283.072023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.072023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.072023 (E_RNA)
where:
Base-Base interactions energy: -179.026
where: short stacking energy: -85.943
Base-Backbone interact. energy: -0.015
local terms energy: -104.031287
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -27.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -314.163195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.163195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.163195 (E_RNA)
where:
Base-Base interactions energy: -210.605
where: short stacking energy: -91.949
Base-Backbone interact. energy: 0.977
local terms energy: -104.535423
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -24.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -205.022294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.022294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.022294 (E_RNA)
where:
Base-Base interactions energy: -115.519
where: short stacking energy: -60.212
Base-Backbone interact. energy: 0.483
local terms energy: -89.987035
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -14.883
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: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -181.128069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.128069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.128069 (E_RNA)
where:
Base-Base interactions energy: -104.966
where: short stacking energy: -57.693
Base-Backbone interact. energy: -1.057
local terms energy: -75.104906
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -22.237
flat angles P-C4'-P energy: -10.451
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: 3
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -123.157243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.157243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.157243 (E_RNA)
where:
Base-Base interactions energy: -58.839
where: short stacking energy: -38.096
Base-Backbone interact. energy: -0.382
local terms energy: -63.935459
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -0.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -123.463501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.463501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.463501 (E_RNA)
where:
Base-Base interactions energy: -41.911
where: short stacking energy: -36.923
Base-Backbone interact. energy: -0.717
local terms energy: -80.835017
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -8.452
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: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -146.235517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.235517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.235517 (E_RNA)
where:
Base-Base interactions energy: -80.144
where: short stacking energy: -38.539
Base-Backbone interact. energy: -0.282
local terms energy: -65.809507
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -105.553195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.553195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.553195 (E_RNA)
where:
Base-Base interactions energy: -42.707
where: short stacking energy: -32.445
Base-Backbone interact. energy: -0.168
local terms energy: -62.677577
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -308.995574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.995574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.995574 (E_RNA)
where:
Base-Base interactions energy: -208.011
where: short stacking energy: -97.854
Base-Backbone interact. energy: 0.343
local terms energy: -101.327072
where:
bonds (distance) C4'-P energy: -17.763
bonds (distance) P-C4' energy: -22.593
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -29.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -281.841135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.841135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.841135 (E_RNA)
where:
Base-Base interactions energy: -180.128
where: short stacking energy: -75.849
Base-Backbone interact. energy: -0.131
local terms energy: -101.581832
where:
bonds (distance) C4'-P energy: -21.000
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -24.051
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -22.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -314.552574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.552574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.552574 (E_RNA)
where:
Base-Base interactions energy: -204.272
where: short stacking energy: -92.488
Base-Backbone interact. energy: -0.110
local terms energy: -110.170518
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -23.656
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -16.687
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: 4, replica: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -261.903651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.903651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.903651 (E_RNA)
where:
Base-Base interactions energy: -161.519
where: short stacking energy: -84.710
Base-Backbone interact. energy: 0.021
local terms energy: -100.405614
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -26.044
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: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -229.441441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.441441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.441441 (E_RNA)
where:
Base-Base interactions energy: -148.931
where: short stacking energy: -67.029
Base-Backbone interact. energy: -1.368
local terms energy: -79.143039
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -21.846
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -219.802587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.802587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.802587 (E_RNA)
where:
Base-Base interactions energy: -133.080
where: short stacking energy: -59.989
Base-Backbone interact. energy: -0.208
local terms energy: -86.514276
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -21.276
flat angles P-C4'-P energy: -17.029
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: 7, replica: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -143.076957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.076957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.076957 (E_RNA)
where:
Base-Base interactions energy: -78.588
where: short stacking energy: -45.838
Base-Backbone interact. energy: 0.495
local terms energy: -64.984067
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -5.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -121.050710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.050710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.050710 (E_RNA)
where:
Base-Base interactions energy: -44.021
where: short stacking energy: -39.348
Base-Backbone interact. energy: -0.052
local terms energy: -76.977648
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -6.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -112.187634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.187634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.187634 (E_RNA)
where:
Base-Base interactions energy: -41.014
where: short stacking energy: -35.547
Base-Backbone interact. energy: -0.159
local terms energy: -71.014650
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -7.285
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: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -125.710002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.710002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.710002 (E_RNA)
where:
Base-Base interactions energy: -61.042
where: short stacking energy: -42.312
Base-Backbone interact. energy: -0.479
local terms energy: -64.189248
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -19.984
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -5.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -325.741097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.741097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.741097 (E_RNA)
where:
Base-Base interactions energy: -213.273
where: short stacking energy: -103.192
Base-Backbone interact. energy: -0.098
local terms energy: -112.369977
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -25.394
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -29.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -321.079879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.079879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.079879 (E_RNA)
where:
Base-Base interactions energy: -220.607
where: short stacking energy: -91.402
Base-Backbone interact. energy: 0.025
local terms energy: -100.497721
where:
bonds (distance) C4'-P energy: -20.749
bonds (distance) P-C4' energy: -23.368
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -17.917
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -282.339694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.339694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.339694 (E_RNA)
where:
Base-Base interactions energy: -179.863
where: short stacking energy: -88.146
Base-Backbone interact. energy: 3.493
local terms energy: -105.970318
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -22.082
flat angles P-C4'-P energy: -18.217
tors. eta vs tors. theta energy: -22.694
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: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -235.357011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.357011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.357011 (E_RNA)
where:
Base-Base interactions energy: -148.671
where: short stacking energy: -65.578
Base-Backbone interact. energy: -0.259
local terms energy: -86.427097
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -13.690
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: 5, replica: 8
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -227.590214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.590214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.590214 (E_RNA)
where:
Base-Base interactions energy: -134.269
where: short stacking energy: -64.535
Base-Backbone interact. energy: -1.220
local terms energy: -92.101330
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -17.473
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: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -151.268207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.268207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.268207 (E_RNA)
where:
Base-Base interactions energy: -72.773
where: short stacking energy: -54.034
Base-Backbone interact. energy: -0.050
local terms energy: -78.444575
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -8.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -151.051007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.051007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.051007 (E_RNA)
where:
Base-Base interactions energy: -72.683
where: short stacking energy: -45.056
Base-Backbone interact. energy: -0.928
local terms energy: -77.439014
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -7.269
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: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -128.696042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.696042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.696042 (E_RNA)
where:
Base-Base interactions energy: -47.720
where: short stacking energy: -46.858
Base-Backbone interact. energy: -0.154
local terms energy: -80.822135
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -10.742
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: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -121.302717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.302717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.302717 (E_RNA)
where:
Base-Base interactions energy: -50.648
where: short stacking energy: -25.689
Base-Backbone interact. energy: -1.016
local terms energy: -69.638979
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: 1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -102.646513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.646513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.646513 (E_RNA)
where:
Base-Base interactions energy: -36.762
where: short stacking energy: -35.892
Base-Backbone interact. energy: 0.007
local terms energy: -65.891551
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -314.677914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.677914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.677914 (E_RNA)
where:
Base-Base interactions energy: -201.543
where: short stacking energy: -97.529
Base-Backbone interact. energy: -0.092
local terms energy: -113.043095
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -31.865
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: 10
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -304.267486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.267486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.267486 (E_RNA)
where:
Base-Base interactions energy: -207.195
where: short stacking energy: -85.210
Base-Backbone interact. energy: -0.388
local terms energy: -96.684077
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -23.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -272.527398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.527398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.527398 (E_RNA)
where:
Base-Base interactions energy: -173.375
where: short stacking energy: -81.173
Base-Backbone interact. energy: -0.618
local terms energy: -98.534542
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -24.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -238.498029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.498029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.498029 (E_RNA)
where:
Base-Base interactions energy: -142.567
where: short stacking energy: -78.299
Base-Backbone interact. energy: 2.013
local terms energy: -97.943911
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -24.534
flat angles P-C4'-P energy: -18.754
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: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -208.697604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.697604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.697604 (E_RNA)
where:
Base-Base interactions energy: -121.463
where: short stacking energy: -61.552
Base-Backbone interact. energy: -0.753
local terms energy: -86.481455
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -12.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -145.326165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.326165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.326165 (E_RNA)
where:
Base-Base interactions energy: -69.734
where: short stacking energy: -61.023
Base-Backbone interact. energy: -0.889
local terms energy: -74.703742
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -12.784
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: 7, replica: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -116.691657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.691657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.691657 (E_RNA)
where:
Base-Base interactions energy: -43.097
where: short stacking energy: -42.871
Base-Backbone interact. energy: 0.595
local terms energy: -74.189358
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -21.896
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -8.480
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: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -115.174511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.174511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.174511 (E_RNA)
where:
Base-Base interactions energy: -49.109
where: short stacking energy: -48.602
Base-Backbone interact. energy: -0.355
local terms energy: -65.710520
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -7.744
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: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -130.688415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.688415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.688415 (E_RNA)
where:
Base-Base interactions energy: -73.663
where: short stacking energy: -30.505
Base-Backbone interact. energy: -0.225
local terms energy: -56.801099
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -3.604
tors. eta vs tors. theta energy: 0.465
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: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -132.393847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.393847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.393847 (E_RNA)
where:
Base-Base interactions energy: -68.091
where: short stacking energy: -48.163
Base-Backbone interact. energy: -0.089
local terms energy: -64.213432
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -9.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -314.954432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.954432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.954432 (E_RNA)
where:
Base-Base interactions energy: -205.244
where: short stacking energy: -90.676
Base-Backbone interact. energy: -0.192
local terms energy: -109.518000
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -20.405
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -25.016
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: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -325.759160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.759160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.759160 (E_RNA)
where:
Base-Base interactions energy: -220.796
where: short stacking energy: -96.069
Base-Backbone interact. energy: -0.406
local terms energy: -104.557616
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -22.501
flat angles C4'-P-C4' energy: -23.101
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -24.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -273.894123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.894123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.894123 (E_RNA)
where:
Base-Base interactions energy: -174.515
where: short stacking energy: -82.944
Base-Backbone interact. energy: -0.074
local terms energy: -99.305278
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -227.454331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.454331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.454331 (E_RNA)
where:
Base-Base interactions energy: -132.945
where: short stacking energy: -65.849
Base-Backbone interact. energy: -1.050
local terms energy: -93.458549
where:
bonds (distance) C4'-P energy: -23.241
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: -9.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -255.827904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.827904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.827904 (E_RNA)
where:
Base-Base interactions energy: -159.862
where: short stacking energy: -74.029
Base-Backbone interact. energy: -0.552
local terms energy: -95.413614
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -21.457
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -126.587792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.587792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.587792 (E_RNA)
where:
Base-Base interactions energy: -49.160
where: short stacking energy: -49.160
Base-Backbone interact. energy: 2.940
local terms energy: -80.367828
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -5.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -120.921210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.921210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.921210 (E_RNA)
where:
Base-Base interactions energy: -48.382
where: short stacking energy: -44.342
Base-Backbone interact. energy: 0.380
local terms energy: -72.918980
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -20.386
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -6.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -121.792138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.792138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.792138 (E_RNA)
where:
Base-Base interactions energy: -51.399
where: short stacking energy: -35.298
Base-Backbone interact. energy: -0.275
local terms energy: -70.118928
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -99.650185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.650185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.650185 (E_RNA)
where:
Base-Base interactions energy: -34.838
where: short stacking energy: -29.792
Base-Backbone interact. energy: -0.164
local terms energy: -64.649025
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -11.587
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)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -105.988925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.988925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.988925 (E_RNA)
where:
Base-Base interactions energy: -39.268
where: short stacking energy: -39.268
Base-Backbone interact. energy: -0.133
local terms energy: -66.588107
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -327.863779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.863779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.863779 (E_RNA)
where:
Base-Base interactions energy: -220.712
where: short stacking energy: -101.728
Base-Backbone interact. energy: -0.188
local terms energy: -106.963539
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -21.413
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -26.373
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: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -300.392151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.392151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.392151 (E_RNA)
where:
Base-Base interactions energy: -203.319
where: short stacking energy: -93.361
Base-Backbone interact. energy: -0.209
local terms energy: -96.864862
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -22.856
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -26.453
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: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -268.261319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.261319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.261319 (E_RNA)
where:
Base-Base interactions energy: -171.131
where: short stacking energy: -71.690
Base-Backbone interact. energy: -0.629
local terms energy: -96.501054
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -14.851
tors. eta vs tors. theta energy: -18.008
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: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -236.447711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.447711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.447711 (E_RNA)
where:
Base-Base interactions energy: -142.393
where: short stacking energy: -83.588
Base-Backbone interact. energy: -0.010
local terms energy: -94.045392
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -25.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -236.708562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.708562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.708562 (E_RNA)
where:
Base-Base interactions energy: -152.794
where: short stacking energy: -81.683
Base-Backbone interact. energy: -1.692
local terms energy: -82.222957
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -21.968
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -18.711
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: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -154.280426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.280426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.280426 (E_RNA)
where:
Base-Base interactions energy: -82.484
where: short stacking energy: -38.819
Base-Backbone interact. energy: 0.455
local terms energy: -72.250834
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -118.608392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.608392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.608392 (E_RNA)
where:
Base-Base interactions energy: -40.957
where: short stacking energy: -40.834
Base-Backbone interact. energy: -0.146
local terms energy: -77.505494
where:
bonds (distance) C4'-P energy: -22.540
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -2.255
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: 2
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -125.531953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.531953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.531953 (E_RNA)
where:
Base-Base interactions energy: -49.653
where: short stacking energy: -49.136
Base-Backbone interact. energy: -1.472
local terms energy: -74.407293
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -9.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -128.702421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.702421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.702421 (E_RNA)
where:
Base-Base interactions energy: -60.639
where: short stacking energy: -41.802
Base-Backbone interact. energy: -0.099
local terms energy: -67.964319
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -3.626
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: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -110.202171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.202171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.202171 (E_RNA)
where:
Base-Base interactions energy: -33.908
where: short stacking energy: -31.952
Base-Backbone interact. energy: 1.936
local terms energy: -78.229664
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -17.610
tors. eta vs tors. theta energy: -4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -313.485365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.485365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.485365 (E_RNA)
where:
Base-Base interactions energy: -200.351
where: short stacking energy: -86.794
Base-Backbone interact. energy: -0.430
local terms energy: -112.704959
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -25.537
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: -27.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -315.166731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.166731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.166731 (E_RNA)
where:
Base-Base interactions energy: -212.902
where: short stacking energy: -85.662
Base-Backbone interact. energy: -1.185
local terms energy: -101.079483
where:
bonds (distance) C4'-P energy: -23.742
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -20.413
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -27.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -280.156812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.156812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.156812 (E_RNA)
where:
Base-Base interactions energy: -185.966
where: short stacking energy: -84.751
Base-Backbone interact. energy: -0.017
local terms energy: -94.173918
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -20.306
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -247.889548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.889548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.889548 (E_RNA)
where:
Base-Base interactions energy: -151.192
where: short stacking energy: -75.551
Base-Backbone interact. energy: -0.401
local terms energy: -96.297029
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -22.593
flat angles C4'-P-C4' energy: -20.427
flat angles P-C4'-P energy: -16.997
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: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -228.282668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.282668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.282668 (E_RNA)
where:
Base-Base interactions energy: -132.072
where: short stacking energy: -75.512
Base-Backbone interact. energy: -0.017
local terms energy: -96.194446
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -14.434
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: 6, replica: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -189.428367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.428367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.428367 (E_RNA)
where:
Base-Base interactions energy: -105.627
where: short stacking energy: -57.476
Base-Backbone interact. energy: -0.965
local terms energy: -82.836547
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -13.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -106.032608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.032608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.032608 (E_RNA)
where:
Base-Base interactions energy: -43.246
where: short stacking energy: -27.250
Base-Backbone interact. energy: -0.377
local terms energy: -62.409544
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: 1.975
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: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -116.479156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.479156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.479156 (E_RNA)
where:
Base-Base interactions energy: -38.101
where: short stacking energy: -36.597
Base-Backbone interact. energy: -0.852
local terms energy: -77.526669
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -7.013
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: 2
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -119.933263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.933263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.933263 (E_RNA)
where:
Base-Base interactions energy: -48.111
where: short stacking energy: -48.059
Base-Backbone interact. energy: 1.708
local terms energy: -73.530223
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -9.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -102.093623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.093623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.093623 (E_RNA)
where:
Base-Base interactions energy: -36.569
where: short stacking energy: -36.569
Base-Backbone interact. energy: -0.155
local terms energy: -65.370177
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -1.863
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: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -317.077021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.077021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.077021 (E_RNA)
where:
Base-Base interactions energy: -210.806
where: short stacking energy: -102.767
Base-Backbone interact. energy: -0.337
local terms energy: -105.934106
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -29.925
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: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -325.249011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.249011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.249011 (E_RNA)
where:
Base-Base interactions energy: -226.088
where: short stacking energy: -96.742
Base-Backbone interact. energy: -0.212
local terms energy: -98.949030
where:
bonds (distance) C4'-P energy: -20.582
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -20.180
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -26.801
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: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -267.695344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.695344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.695344 (E_RNA)
where:
Base-Base interactions energy: -172.243
where: short stacking energy: -84.982
Base-Backbone interact. energy: -0.659
local terms energy: -94.793386
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -23.017
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -18.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -237.947887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.947887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.947887 (E_RNA)
where:
Base-Base interactions energy: -156.818
where: short stacking energy: -72.352
Base-Backbone interact. energy: -0.085
local terms energy: -81.044347
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -22.511
flat angles P-C4'-P energy: -14.349
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: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -233.666528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.666528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.666528 (E_RNA)
where:
Base-Base interactions energy: -130.289
where: short stacking energy: -78.209
Base-Backbone interact. energy: -0.016
local terms energy: -103.361391
where:
bonds (distance) C4'-P energy: -21.749
bonds (distance) P-C4' energy: -20.319
flat angles C4'-P-C4' energy: -23.613
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -23.314
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: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -179.509808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.509808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.509808 (E_RNA)
where:
Base-Base interactions energy: -100.829
where: short stacking energy: -69.542
Base-Backbone interact. energy: -0.003
local terms energy: -78.677533
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -122.900845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.900845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.900845 (E_RNA)
where:
Base-Base interactions energy: -58.958
where: short stacking energy: -35.936
Base-Backbone interact. energy: -0.094
local terms energy: -63.849632
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -2.142
tors. eta vs tors. theta energy: 0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -107.984072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.984072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.984072 (E_RNA)
where:
Base-Base interactions energy: -34.580
where: short stacking energy: -34.580
Base-Backbone interact. energy: -0.109
local terms energy: -73.295232
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -15.101
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: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -108.453748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.453748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.453748 (E_RNA)
where:
Base-Base interactions energy: -49.048
where: short stacking energy: -35.837
Base-Backbone interact. energy: -0.449
local terms energy: -58.956815
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: 3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -108.349273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.349273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.349273 (E_RNA)
where:
Base-Base interactions energy: -43.425
where: short stacking energy: -39.096
Base-Backbone interact. energy: -0.040
local terms energy: -64.884051
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -2.233
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: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -315.259782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.259782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.259782 (E_RNA)
where:
Base-Base interactions energy: -205.899
where: short stacking energy: -100.314
Base-Backbone interact. energy: -0.242
local terms energy: -109.118873
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -25.786
flat angles P-C4'-P energy: -17.016
tors. eta vs tors. theta energy: -25.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -325.266267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.266267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.266267 (E_RNA)
where:
Base-Base interactions energy: -217.951
where: short stacking energy: -97.742
Base-Backbone interact. energy: -0.525
local terms energy: -106.789482
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -24.666
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -24.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -272.049717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.049717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.049717 (E_RNA)
where:
Base-Base interactions energy: -175.046
where: short stacking energy: -79.757
Base-Backbone interact. energy: -0.882
local terms energy: -96.121680
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -23.753
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -240.534655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.534655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.534655 (E_RNA)
where:
Base-Base interactions energy: -150.526
where: short stacking energy: -71.071
Base-Backbone interact. energy: 0.058
local terms energy: -90.066146
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -15.381
tors. eta vs tors. theta energy: -15.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -217.600528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.600528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.600528 (E_RNA)
where:
Base-Base interactions energy: -133.491
where: short stacking energy: -70.884
Base-Backbone interact. energy: 0.176
local terms energy: -84.285483
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -173.890781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.890781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.890781 (E_RNA)
where:
Base-Base interactions energy: -91.885
where: short stacking energy: -61.666
Base-Backbone interact. energy: -0.373
local terms energy: -81.633560
where:
bonds (distance) C4'-P energy: -22.533
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -9.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -121.441280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.441280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.441280 (E_RNA)
where:
Base-Base interactions energy: -55.802
where: short stacking energy: -48.208
Base-Backbone interact. energy: 0.074
local terms energy: -65.713682
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -11.097
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: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -119.389362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.389362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.389362 (E_RNA)
where:
Base-Base interactions energy: -48.641
where: short stacking energy: -36.180
Base-Backbone interact. energy: -1.014
local terms energy: -69.734161
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -3.951
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: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -112.583459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.583459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.583459 (E_RNA)
where:
Base-Base interactions energy: -40.435
where: short stacking energy: -38.091
Base-Backbone interact. energy: -1.434
local terms energy: -70.714853
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -20.068
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -4.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -107.709531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.709531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.709531 (E_RNA)
where:
Base-Base interactions energy: -44.686
where: short stacking energy: -44.686
Base-Backbone interact. energy: -0.206
local terms energy: -62.818474
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -19.414
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -329.313567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.313567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.313567 (E_RNA)
where:
Base-Base interactions energy: -223.781
where: short stacking energy: -96.417
Base-Backbone interact. energy: -0.405
local terms energy: -105.127386
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: -24.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -323.228569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.228569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.228569 (E_RNA)
where:
Base-Base interactions energy: -225.529
where: short stacking energy: -95.388
Base-Backbone interact. energy: -0.131
local terms energy: -97.568127
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -16.905
tors. eta vs tors. theta energy: -24.355
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: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -273.045885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.045885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.045885 (E_RNA)
where:
Base-Base interactions energy: -182.023
where: short stacking energy: -86.264
Base-Backbone interact. energy: -1.439
local terms energy: -89.583967
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -20.975
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -24.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -248.013911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.013911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.013911 (E_RNA)
where:
Base-Base interactions energy: -151.087
where: short stacking energy: -73.635
Base-Backbone interact. energy: -0.056
local terms energy: -96.870886
where:
bonds (distance) C4'-P energy: -20.250
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -19.921
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -21.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -235.308344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.308344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.308344 (E_RNA)
where:
Base-Base interactions energy: -143.289
where: short stacking energy: -70.565
Base-Backbone interact. energy: -0.023
local terms energy: -91.996741
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -21.302
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -163.422899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.422899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.422899 (E_RNA)
where:
Base-Base interactions energy: -83.062
where: short stacking energy: -57.129
Base-Backbone interact. energy: -0.690
local terms energy: -79.671218
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -12.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -131.909407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.909407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.909407 (E_RNA)
where:
Base-Base interactions energy: -62.264
where: short stacking energy: -49.844
Base-Backbone interact. energy: -0.297
local terms energy: -69.348425
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -9.994
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: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -120.263936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.263936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.263936 (E_RNA)
where:
Base-Base interactions energy: -58.626
where: short stacking energy: -47.221
Base-Backbone interact. energy: 0.065
local terms energy: -61.702942
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -1.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -122.912062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.912062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.912062 (E_RNA)
where:
Base-Base interactions energy: -53.050
where: short stacking energy: -44.402
Base-Backbone interact. energy: -0.123
local terms energy: -69.739164
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -7.100
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: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -109.940233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.940233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.940233 (E_RNA)
where:
Base-Base interactions energy: -39.350
where: short stacking energy: -33.683
Base-Backbone interact. energy: -1.531
local terms energy: -69.059361
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -11.636
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)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -328.072883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.072883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.072883 (E_RNA)
where:
Base-Base interactions energy: -222.085
where: short stacking energy: -97.666
Base-Backbone interact. energy: -0.093
local terms energy: -105.894299
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -18.931
tors. eta vs tors. theta energy: -26.597
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: 10
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -316.609466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.609466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.609466 (E_RNA)
where:
Base-Base interactions energy: -215.528
where: short stacking energy: -96.750
Base-Backbone interact. energy: 0.872
local terms energy: -101.953124
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -15.195
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: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -289.730733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.730733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.730733 (E_RNA)
where:
Base-Base interactions energy: -192.297
where: short stacking energy: -92.380
Base-Backbone interact. energy: -0.017
local terms energy: -97.416081
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -24.437
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -21.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -230.683317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.683317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.683317 (E_RNA)
where:
Base-Base interactions energy: -139.230
where: short stacking energy: -59.523
Base-Backbone interact. energy: -0.962
local terms energy: -90.492182
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -252.583371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.583371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.583371 (E_RNA)
where:
Base-Base interactions energy: -162.144
where: short stacking energy: -73.521
Base-Backbone interact. energy: -0.295
local terms energy: -90.144047
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -24.350
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -21.598
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: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -176.968909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.968909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.968909 (E_RNA)
where:
Base-Base interactions energy: -92.999
where: short stacking energy: -62.815
Base-Backbone interact. energy: -1.227
local terms energy: -82.742883
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -18.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -161.400979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.400979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.400979 (E_RNA)
where:
Base-Base interactions energy: -89.581
where: short stacking energy: -38.533
Base-Backbone interact. energy: -1.149
local terms energy: -70.671655
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -135.632437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.632437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.632437 (E_RNA)
where:
Base-Base interactions energy: -58.718
where: short stacking energy: -42.464
Base-Backbone interact. energy: -0.069
local terms energy: -76.844563
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -14.901
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: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -113.653916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.653916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.653916 (E_RNA)
where:
Base-Base interactions energy: -42.791
where: short stacking energy: -40.566
Base-Backbone interact. energy: -0.251
local terms energy: -70.611234
where:
bonds (distance) C4'-P energy: -9.414
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -106.270483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.270483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.270483 (E_RNA)
where:
Base-Base interactions energy: -39.862
where: short stacking energy: -39.505
Base-Backbone interact. energy: 0.748
local terms energy: -67.155574
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -325.436226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.436226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.436226 (E_RNA)
where:
Base-Base interactions energy: -224.915
where: short stacking energy: -95.509
Base-Backbone interact. energy: -0.114
local terms energy: -100.407473
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -24.819
flat angles P-C4'-P energy: -15.885
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: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -318.825093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.825093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.825093 (E_RNA)
where:
Base-Base interactions energy: -208.237
where: short stacking energy: -104.787
Base-Backbone interact. energy: 0.185
local terms energy: -110.773284
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -24.063
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -32.083
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: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -287.241484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.241484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.241484 (E_RNA)
where:
Base-Base interactions energy: -183.212
where: short stacking energy: -91.550
Base-Backbone interact. energy: -0.141
local terms energy: -103.888183
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -26.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -235.452235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.452235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.452235 (E_RNA)
where:
Base-Base interactions energy: -158.297
where: short stacking energy: -83.943
Base-Backbone interact. energy: -0.047
local terms energy: -77.108377
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -17.332
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -14.987
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: -244.283790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.283790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.283790 (E_RNA)
where:
Base-Base interactions energy: -149.631
where: short stacking energy: -70.836
Base-Backbone interact. energy: -0.094
local terms energy: -94.558614
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -22.052
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -18.475
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: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -125.194473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.194473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.194473 (E_RNA)
where:
Base-Base interactions energy: -59.240
where: short stacking energy: -59.240
Base-Backbone interact. energy: 1.036
local terms energy: -66.991022
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -196.752057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.752057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.752057 (E_RNA)
where:
Base-Base interactions energy: -118.167
where: short stacking energy: -54.778
Base-Backbone interact. energy: -0.158
local terms energy: -78.426497
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -18.892
flat angles P-C4'-P energy: -11.707
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: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -126.480915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.480915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.480915 (E_RNA)
where:
Base-Base interactions energy: -62.680
where: short stacking energy: -41.250
Base-Backbone interact. energy: -0.272
local terms energy: -63.528932
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -5.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -117.198413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.198413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.198413 (E_RNA)
where:
Base-Base interactions energy: -54.148
where: short stacking energy: -34.041
Base-Backbone interact. energy: 0.851
local terms energy: -63.901920
where:
bonds (distance) C4'-P energy: -19.090
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -104.882484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.882484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.882484 (E_RNA)
where:
Base-Base interactions energy: -42.374
where: short stacking energy: -40.169
Base-Backbone interact. energy: -0.256
local terms energy: -62.252764
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -4.169
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -322.437931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.437931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.437931 (E_RNA)
where:
Base-Base interactions energy: -218.401
where: short stacking energy: -96.446
Base-Backbone interact. energy: -0.138
local terms energy: -103.898797
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -22.449
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -322.817793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.817793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.817793 (E_RNA)
where:
Base-Base interactions energy: -212.932
where: short stacking energy: -93.074
Base-Backbone interact. energy: -0.073
local terms energy: -109.812548
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -23.289
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -27.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -277.312611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.312611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.312611 (E_RNA)
where:
Base-Base interactions energy: -178.574
where: short stacking energy: -84.013
Base-Backbone interact. energy: -0.055
local terms energy: -98.682808
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -26.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -260.585467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.585467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.585467 (E_RNA)
where:
Base-Base interactions energy: -174.305
where: short stacking energy: -93.077
Base-Backbone interact. energy: -0.404
local terms energy: -85.876834
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -21.678
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -21.044
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: 5, replica: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -222.704844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.704844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.704844 (E_RNA)
where:
Base-Base interactions energy: -133.475
where: short stacking energy: -66.860
Base-Backbone interact. energy: -0.086
local terms energy: -89.144105
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -10.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -209.954968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.954968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.954968 (E_RNA)
where:
Base-Base interactions energy: -131.510
where: short stacking energy: -37.800
Base-Backbone interact. energy: -0.315
local terms energy: -78.130397
where:
bonds (distance) C4'-P energy: -20.674
bonds (distance) P-C4' energy: -19.208
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -15.015
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: 7, replica: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -136.226396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.226396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.226396 (E_RNA)
where:
Base-Base interactions energy: -58.740
where: short stacking energy: -58.740
Base-Backbone interact. energy: -0.015
local terms energy: -77.471823
where:
bonds (distance) C4'-P energy: -21.212
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -119.379050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.379050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.379050 (E_RNA)
where:
Base-Base interactions energy: -69.846
where: short stacking energy: -46.055
Base-Backbone interact. energy: 1.500
local terms energy: -51.032864
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: 0.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -123.278978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.278978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.278978 (E_RNA)
where:
Base-Base interactions energy: -62.740
where: short stacking energy: -47.134
Base-Backbone interact. energy: -0.815
local terms energy: -59.723291
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -97.760629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.760629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.760629 (E_RNA)
where:
Base-Base interactions energy: -46.237
where: short stacking energy: -46.237
Base-Backbone interact. energy: 0.333
local terms energy: -51.857284
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -0.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -312.318984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.318984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.318984 (E_RNA)
where:
Base-Base interactions energy: -209.708
where: short stacking energy: -93.332
Base-Backbone interact. energy: -0.559
local terms energy: -102.052222
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -23.338
flat angles C4'-P-C4' energy: -20.457
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: -23.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -325.321824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.321824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.321824 (E_RNA)
where:
Base-Base interactions energy: -213.164
where: short stacking energy: -93.651
Base-Backbone interact. energy: -0.372
local terms energy: -111.785639
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -23.070
flat angles P-C4'-P energy: -17.999
tors. eta vs tors. theta energy: -29.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -278.866434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.866434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.866434 (E_RNA)
where:
Base-Base interactions energy: -181.276
where: short stacking energy: -95.596
Base-Backbone interact. energy: -0.299
local terms energy: -97.291442
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -24.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -281.105987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.105987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.105987 (E_RNA)
where:
Base-Base interactions energy: -182.463
where: short stacking energy: -89.732
Base-Backbone interact. energy: 1.920
local terms energy: -100.562171
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -19.035
tors. eta vs tors. theta energy: -20.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -210.465093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.465093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.465093 (E_RNA)
where:
Base-Base interactions energy: -134.277
where: short stacking energy: -60.269
Base-Backbone interact. energy: 0.515
local terms energy: -76.703130
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -10.169
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: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -227.625912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.625912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.625912 (E_RNA)
where:
Base-Base interactions energy: -145.596
where: short stacking energy: -68.065
Base-Backbone interact. energy: 1.131
local terms energy: -83.160302
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -23.065
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -11.707
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: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -129.234280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.234280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.234280 (E_RNA)
where:
Base-Base interactions energy: -49.537
where: short stacking energy: -46.403
Base-Backbone interact. energy: -0.251
local terms energy: -79.446847
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -24.449
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -4.637
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: 8, replica: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -132.416577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.416577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.416577 (E_RNA)
where:
Base-Base interactions energy: -54.198
where: short stacking energy: -55.298
Base-Backbone interact. energy: 0.214
local terms energy: -78.432786
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -121.313823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.313823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.313823 (E_RNA)
where:
Base-Base interactions energy: -56.406
where: short stacking energy: -41.734
Base-Backbone interact. energy: -0.030
local terms energy: -64.877565
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -20.297
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -9.227
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: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -104.133592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.133592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.133592 (E_RNA)
where:
Base-Base interactions energy: -29.754
where: short stacking energy: -29.019
Base-Backbone interact. energy: -0.455
local terms energy: -73.924851
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -12.325
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: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -326.598020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.598020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.598020 (E_RNA)
where:
Base-Base interactions energy: -224.966
where: short stacking energy: -101.595
Base-Backbone interact. energy: -0.167
local terms energy: -101.464410
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -24.390
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -23.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -322.971064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.971064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.971064 (E_RNA)
where:
Base-Base interactions energy: -213.055
where: short stacking energy: -93.336
Base-Backbone interact. energy: -0.432
local terms energy: -109.484585
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -19.077
tors. eta vs tors. theta energy: -25.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -274.133032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.133032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.133032 (E_RNA)
where:
Base-Base interactions energy: -175.886
where: short stacking energy: -76.769
Base-Backbone interact. energy: -0.032
local terms energy: -98.215280
where:
bonds (distance) C4'-P energy: -22.252
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -22.013
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -20.190
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: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -245.042451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.042451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.042451 (E_RNA)
where:
Base-Base interactions energy: -148.048
where: short stacking energy: -78.841
Base-Backbone interact. energy: 1.205
local terms energy: -98.199684
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -21.335
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -200.504142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.504142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.504142 (E_RNA)
where:
Base-Base interactions energy: -120.527
where: short stacking energy: -59.830
Base-Backbone interact. energy: -0.469
local terms energy: -79.508549
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -12.222
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: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -277.947924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.947924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.947924 (E_RNA)
where:
Base-Base interactions energy: -186.992
where: short stacking energy: -81.899
Base-Backbone interact. energy: -0.531
local terms energy: -90.424294
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -26.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -136.119885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.119885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.119885 (E_RNA)
where:
Base-Base interactions energy: -63.553
where: short stacking energy: -52.486
Base-Backbone interact. energy: -0.661
local terms energy: -71.906295
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -16.127
tors. eta vs tors. theta energy: -6.269
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: 8, replica: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -122.518219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.518219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.518219 (E_RNA)
where:
Base-Base interactions energy: -54.025
where: short stacking energy: -38.638
Base-Backbone interact. energy: 0.050
local terms energy: -68.543387
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -13.008
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)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -119.462033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.462033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.462033 (E_RNA)
where:
Base-Base interactions energy: -49.888
where: short stacking energy: -45.732
Base-Backbone interact. energy: 0.217
local terms energy: -69.791182
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -10.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -104.569468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.569468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.569468 (E_RNA)
where:
Base-Base interactions energy: -31.289
where: short stacking energy: -29.934
Base-Backbone interact. energy: -0.873
local terms energy: -72.407569
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -22.464
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -326.038860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.038860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.038860 (E_RNA)
where:
Base-Base interactions energy: -215.800
where: short stacking energy: -98.212
Base-Backbone interact. energy: 0.194
local terms energy: -110.432625
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -23.038
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -16.672
tors. eta vs tors. theta energy: -28.461
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: 274
Temperature: 0.950000
Total energy: -328.354754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.354754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.354754 (E_RNA)
where:
Base-Base interactions energy: -226.029
where: short stacking energy: -91.942
Base-Backbone interact. energy: 0.001
local terms energy: -102.326815
where:
bonds (distance) C4'-P energy: -20.752
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -20.416
flat angles P-C4'-P energy: -16.578
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: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -228.393121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.393121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.393121 (E_RNA)
where:
Base-Base interactions energy: -137.770
where: short stacking energy: -75.034
Base-Backbone interact. energy: -0.016
local terms energy: -90.607037
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -287.496219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.496219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.496219 (E_RNA)
where:
Base-Base interactions energy: -182.553
where: short stacking energy: -83.826
Base-Backbone interact. energy: 0.445
local terms energy: -105.388758
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -23.820
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -23.852
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: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -283.445667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.445667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.445667 (E_RNA)
where:
Base-Base interactions energy: -185.662
where: short stacking energy: -86.949
Base-Backbone interact. energy: -0.480
local terms energy: -97.303651
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -25.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -187.617942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.617942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.617942 (E_RNA)
where:
Base-Base interactions energy: -107.088
where: short stacking energy: -56.193
Base-Backbone interact. energy: -1.916
local terms energy: -78.614349
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -12.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -130.097492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.097492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.097492 (E_RNA)
where:
Base-Base interactions energy: -57.053
where: short stacking energy: -38.784
Base-Backbone interact. energy: -0.471
local terms energy: -72.573614
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -5.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -115.270338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.270338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.270338 (E_RNA)
where:
Base-Base interactions energy: -57.429
where: short stacking energy: -40.438
Base-Backbone interact. energy: -0.041
local terms energy: -57.800083
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -8.613
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)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -107.028136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.028136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.028136 (E_RNA)
where:
Base-Base interactions energy: -40.056
where: short stacking energy: -40.056
Base-Backbone interact. energy: 1.174
local terms energy: -68.146049
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -7.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -110.096932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.096932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.096932 (E_RNA)
where:
Base-Base interactions energy: -46.472
where: short stacking energy: -37.838
Base-Backbone interact. energy: -0.223
local terms energy: -63.402634
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -9.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -331.417673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.417673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.417673 (E_RNA)
where:
Base-Base interactions energy: -228.684
where: short stacking energy: -98.114
Base-Backbone interact. energy: 0.306
local terms energy: -103.040268
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -22.461
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -25.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -320.388613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.388613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.388613 (E_RNA)
where:
Base-Base interactions energy: -221.604
where: short stacking energy: -92.557
Base-Backbone interact. energy: -0.156
local terms energy: -98.628579
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -25.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -246.928361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.928361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.928361 (E_RNA)
where:
Base-Base interactions energy: -151.062
where: short stacking energy: -75.318
Base-Backbone interact. energy: -0.128
local terms energy: -95.738465
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -21.300
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -273.789708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.789708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.789708 (E_RNA)
where:
Base-Base interactions energy: -183.110
where: short stacking energy: -80.467
Base-Backbone interact. energy: -0.179
local terms energy: -90.500547
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -22.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -257.696726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.696726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.696726 (E_RNA)
where:
Base-Base interactions energy: -164.581
where: short stacking energy: -70.261
Base-Backbone interact. energy: -0.853
local terms energy: -92.262950
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -22.725
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: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -127.106505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.106505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.106505 (E_RNA)
where:
Base-Base interactions energy: -63.366
where: short stacking energy: -49.713
Base-Backbone interact. energy: -0.565
local terms energy: -63.175262
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -183.946736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.946736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.946736 (E_RNA)
where:
Base-Base interactions energy: -107.459
where: short stacking energy: -60.659
Base-Backbone interact. energy: 1.623
local terms energy: -78.110881
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -3.599
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -119.728281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.728281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.728281 (E_RNA)
where:
Base-Base interactions energy: -44.445
where: short stacking energy: -42.327
Base-Backbone interact. energy: -1.051
local terms energy: -74.232705
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -6.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -111.826504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.826504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.826504 (E_RNA)
where:
Base-Base interactions energy: -54.201
where: short stacking energy: -28.280
Base-Backbone interact. energy: 0.111
local terms energy: -57.736987
where:
bonds (distance) C4'-P energy: -20.449
bonds (distance) P-C4' energy: -25.156
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: 5.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -99.088720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.088720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.088720 (E_RNA)
where:
Base-Base interactions energy: -39.351
where: short stacking energy: -39.351
Base-Backbone interact. energy: -0.187
local terms energy: -59.550347
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -323.497375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.497375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.497375 (E_RNA)
where:
Base-Base interactions energy: -226.704
where: short stacking energy: -89.557
Base-Backbone interact. energy: -0.648
local terms energy: -96.145675
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -21.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -310.821055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.821055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.821055 (E_RNA)
where:
Base-Base interactions energy: -203.105
where: short stacking energy: -100.812
Base-Backbone interact. energy: -0.109
local terms energy: -107.606785
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -18.038
tors. eta vs tors. theta energy: -30.239
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: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -296.368800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.368800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.368800 (E_RNA)
where:
Base-Base interactions energy: -191.125
where: short stacking energy: -89.969
Base-Backbone interact. energy: -0.961
local terms energy: -104.283059
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -23.998
flat angles P-C4'-P energy: -10.737
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: 4, replica: 1
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -240.309312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.309312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.309312 (E_RNA)
where:
Base-Base interactions energy: -147.311
where: short stacking energy: -74.430
Base-Backbone interact. energy: -0.087
local terms energy: -92.911008
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -17.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -229.772801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.772801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.772801 (E_RNA)
where:
Base-Base interactions energy: -141.048
where: short stacking energy: -69.148
Base-Backbone interact. energy: -0.476
local terms energy: -88.249016
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -21.463
flat angles P-C4'-P energy: -16.615
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -186.816785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.816785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.816785 (E_RNA)
where:
Base-Base interactions energy: -107.999
where: short stacking energy: -69.650
Base-Backbone interact. energy: -1.294
local terms energy: -77.523199
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -11.870
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: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -175.916382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.916382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.916382 (E_RNA)
where:
Base-Base interactions energy: -111.573
where: short stacking energy: -55.245
Base-Backbone interact. energy: 0.904
local terms energy: -65.247637
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -124.048541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.048541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.048541 (E_RNA)
where:
Base-Base interactions energy: -48.173
where: short stacking energy: -48.595
Base-Backbone interact. energy: -1.091
local terms energy: -74.785109
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -7.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -119.166378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.166378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.166378 (E_RNA)
where:
Base-Base interactions energy: -56.930
where: short stacking energy: -36.566
Base-Backbone interact. energy: -0.861
local terms energy: -61.375647
where:
bonds (distance) C4'-P energy: -20.772
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -0.868
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: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -94.450101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.450101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.450101 (E_RNA)
where:
Base-Base interactions energy: -28.573
where: short stacking energy: -28.573
Base-Backbone interact. energy: -0.316
local terms energy: -65.561253
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: 2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -325.735581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.735581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.735581 (E_RNA)
where:
Base-Base interactions energy: -225.423
where: short stacking energy: -92.705
Base-Backbone interact. energy: -0.258
local terms energy: -100.054550
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -22.663
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -22.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -317.755607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.755607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.755607 (E_RNA)
where:
Base-Base interactions energy: -211.994
where: short stacking energy: -101.167
Base-Backbone interact. energy: 0.116
local terms energy: -105.877691
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -23.131
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -17.619
tors. eta vs tors. theta energy: -27.726
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: 3, replica: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -307.400086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.400086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.400086 (E_RNA)
where:
Base-Base interactions energy: -204.367
where: short stacking energy: -98.749
Base-Backbone interact. energy: -0.785
local terms energy: -102.247963
where:
bonds (distance) C4'-P energy: -23.671
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -25.367
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: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -235.810482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.810482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.810482 (E_RNA)
where:
Base-Base interactions energy: -135.694
where: short stacking energy: -68.249
Base-Backbone interact. energy: -0.256
local terms energy: -99.860213
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -23.272
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -232.741639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.741639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.741639 (E_RNA)
where:
Base-Base interactions energy: -145.582
where: short stacking energy: -80.638
Base-Backbone interact. energy: -0.037
local terms energy: -87.123169
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -21.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -142.588833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.588833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.588833 (E_RNA)
where:
Base-Base interactions energy: -74.688
where: short stacking energy: -41.573
Base-Backbone interact. energy: -0.356
local terms energy: -67.544774
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -9.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -147.599835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.599835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.599835 (E_RNA)
where:
Base-Base interactions energy: -72.555
where: short stacking energy: -32.110
Base-Backbone interact. energy: -0.199
local terms energy: -74.845302
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -132.219402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.219402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.219402 (E_RNA)
where:
Base-Base interactions energy: -66.179
where: short stacking energy: -42.146
Base-Backbone interact. energy: -0.037
local terms energy: -66.003404
where:
bonds (distance) C4'-P energy: -19.729
bonds (distance) P-C4' energy: -23.658
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -7.448
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: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -116.512610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.512610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.512610 (E_RNA)
where:
Base-Base interactions energy: -45.615
where: short stacking energy: -40.643
Base-Backbone interact. energy: -0.653
local terms energy: -70.245256
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -19.935
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -7.573
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: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -104.292570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.292570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.292570 (E_RNA)
where:
Base-Base interactions energy: -40.645
where: short stacking energy: -36.281
Base-Backbone interact. energy: -0.283
local terms energy: -63.365212
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -327.100275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.100275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.100275 (E_RNA)
where:
Base-Base interactions energy: -223.190
where: short stacking energy: -96.427
Base-Backbone interact. energy: -0.003
local terms energy: -103.907316
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -20.342
flat angles C4'-P-C4' energy: -25.441
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -23.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -301.802644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.802644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.802644 (E_RNA)
where:
Base-Base interactions energy: -207.546
where: short stacking energy: -89.604
Base-Backbone interact. energy: 2.706
local terms energy: -96.962217
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -23.653
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: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -318.816071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.816071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.816071 (E_RNA)
where:
Base-Base interactions energy: -214.413
where: short stacking energy: -103.631
Base-Backbone interact. energy: 0.058
local terms energy: -104.460974
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -21.895
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -27.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -258.527023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.527023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.527023 (E_RNA)
where:
Base-Base interactions energy: -166.734
where: short stacking energy: -82.195
Base-Backbone interact. energy: 0.153
local terms energy: -91.945466
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -13.864
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: 5, replica: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -241.176797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.176797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.176797 (E_RNA)
where:
Base-Base interactions energy: -151.243
where: short stacking energy: -69.254
Base-Backbone interact. energy: -0.184
local terms energy: -89.750327
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -19.233
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -10.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -145.202630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.202630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.202630 (E_RNA)
where:
Base-Base interactions energy: -70.490
where: short stacking energy: -49.083
Base-Backbone interact. energy: -0.233
local terms energy: -74.480368
where:
bonds (distance) C4'-P energy: -23.178
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -9.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -129.874831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.874831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.874831 (E_RNA)
where:
Base-Base interactions energy: -53.776
where: short stacking energy: -48.077
Base-Backbone interact. energy: -0.084
local terms energy: -76.014814
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -3.820
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: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -139.851898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.851898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.851898 (E_RNA)
where:
Base-Base interactions energy: -61.054
where: short stacking energy: -38.630
Base-Backbone interact. energy: -0.018
local terms energy: -78.779587
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -21.895
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -100.335459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.335459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.335459 (E_RNA)
where:
Base-Base interactions energy: -35.547
where: short stacking energy: -32.586
Base-Backbone interact. energy: -0.199
local terms energy: -64.589150
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -0.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -100.722690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.722690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.722690 (E_RNA)
where:
Base-Base interactions energy: -48.281
where: short stacking energy: -36.288
Base-Backbone interact. energy: 0.163
local terms energy: -52.605114
where:
bonds (distance) C4'-P energy: -7.275
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -0.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -310.878176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.878176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.878176 (E_RNA)
where:
Base-Base interactions energy: -214.027
where: short stacking energy: -97.654
Base-Backbone interact. energy: 0.157
local terms energy: -97.008244
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -319.928131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.928131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.928131 (E_RNA)
where:
Base-Base interactions energy: -213.772
where: short stacking energy: -104.292
Base-Backbone interact. energy: -0.191
local terms energy: -105.965095
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -26.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -292.373657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.373657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.373657 (E_RNA)
where:
Base-Base interactions energy: -195.821
where: short stacking energy: -94.238
Base-Backbone interact. energy: 3.004
local terms energy: -99.556371
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -29.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -247.498598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.498598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.498598 (E_RNA)
where:
Base-Base interactions energy: -159.111
where: short stacking energy: -75.907
Base-Backbone interact. energy: -0.611
local terms energy: -87.776764
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -19.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -234.993887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.993887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.993887 (E_RNA)
where:
Base-Base interactions energy: -142.288
where: short stacking energy: -75.131
Base-Backbone interact. energy: -0.415
local terms energy: -92.289968
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -24.484
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -16.506
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: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -145.297349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.297349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.297349 (E_RNA)
where:
Base-Base interactions energy: -62.596
where: short stacking energy: -59.412
Base-Backbone interact. energy: -0.588
local terms energy: -82.112843
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -141.753822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.753822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.753822 (E_RNA)
where:
Base-Base interactions energy: -67.996
where: short stacking energy: -64.437
Base-Backbone interact. energy: -0.217
local terms energy: -73.540266
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -13.585
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: 8, replica: 2
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -124.926128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.926128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.926128 (E_RNA)
where:
Base-Base interactions energy: -56.739
where: short stacking energy: -41.608
Base-Backbone interact. energy: -1.742
local terms energy: -66.445568
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -7.505
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: 3
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -99.191062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.191062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.191062 (E_RNA)
where:
Base-Base interactions energy: -46.738
where: short stacking energy: -33.574
Base-Backbone interact. energy: -1.197
local terms energy: -51.255392
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -4.207
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: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -111.316938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.316938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.316938 (E_RNA)
where:
Base-Base interactions energy: -43.082
where: short stacking energy: -31.272
Base-Backbone interact. energy: 0.403
local terms energy: -68.637988
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -329.265183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.265183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.265183 (E_RNA)
where:
Base-Base interactions energy: -226.669
where: short stacking energy: -98.839
Base-Backbone interact. energy: -0.432
local terms energy: -102.164561
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -24.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -317.176498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.176498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.176498 (E_RNA)
where:
Base-Base interactions energy: -203.565
where: short stacking energy: -97.516
Base-Backbone interact. energy: -0.228
local terms energy: -113.383814
where:
bonds (distance) C4'-P energy: -21.326
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -31.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -298.322652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.322652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.322652 (E_RNA)
where:
Base-Base interactions energy: -209.393
where: short stacking energy: -78.604
Base-Backbone interact. energy: -1.151
local terms energy: -87.778786
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -20.215
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: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -242.953201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.953201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.953201 (E_RNA)
where:
Base-Base interactions energy: -156.757
where: short stacking energy: -77.377
Base-Backbone interact. energy: -0.249
local terms energy: -85.946652
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -22.211
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -13.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -245.295378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.295378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.295378 (E_RNA)
where:
Base-Base interactions energy: -153.768
where: short stacking energy: -78.963
Base-Backbone interact. energy: -1.036
local terms energy: -90.491499
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -157.265024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.265024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.265024 (E_RNA)
where:
Base-Base interactions energy: -71.136
where: short stacking energy: -44.633
Base-Backbone interact. energy: -0.195
local terms energy: -85.933766
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -24.477
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -9.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -135.964623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.964623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.964623 (E_RNA)
where:
Base-Base interactions energy: -54.298
where: short stacking energy: -43.030
Base-Backbone interact. energy: 0.777
local terms energy: -82.443444
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -21.506
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -7.784
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: 280
Temperature: 1.250000
Total energy: -124.562994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.562994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.562994 (E_RNA)
where:
Base-Base interactions energy: -52.068
where: short stacking energy: -39.233
Base-Backbone interact. energy: -0.132
local terms energy: -72.362893
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -123.698571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.698571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.698571 (E_RNA)
where:
Base-Base interactions energy: -47.346
where: short stacking energy: -44.806
Base-Backbone interact. energy: -0.286
local terms energy: -76.067205
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -12.360
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: 3
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -111.976091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.976091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.976091 (E_RNA)
where:
Base-Base interactions energy: -48.357
where: short stacking energy: -43.943
Base-Backbone interact. energy: -0.652
local terms energy: -62.967168
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -5.209
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: 1, replica: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -317.230161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.230161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.230161 (E_RNA)
where:
Base-Base interactions energy: -209.954
where: short stacking energy: -94.704
Base-Backbone interact. energy: -0.929
local terms energy: -106.347603
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -27.311
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: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -298.496084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.496084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.496084 (E_RNA)
where:
Base-Base interactions energy: -197.769
where: short stacking energy: -87.229
Base-Backbone interact. energy: -0.674
local terms energy: -100.053157
where:
bonds (distance) C4'-P energy: -19.958
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -11.836
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: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -302.316400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.316400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.316400 (E_RNA)
where:
Base-Base interactions energy: -204.878
where: short stacking energy: -93.552
Base-Backbone interact. energy: -0.317
local terms energy: -97.120943
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -23.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -266.934272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.934272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.934272 (E_RNA)
where:
Base-Base interactions energy: -174.950
where: short stacking energy: -83.633
Base-Backbone interact. energy: 3.103
local terms energy: -95.086509
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -21.751
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -23.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -202.188850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.188850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.188850 (E_RNA)
where:
Base-Base interactions energy: -126.460
where: short stacking energy: -67.129
Base-Backbone interact. energy: -0.076
local terms energy: -75.652309
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -134.151769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.151769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.151769 (E_RNA)
where:
Base-Base interactions energy: -69.700
where: short stacking energy: -40.051
Base-Backbone interact. energy: -0.404
local terms energy: -64.047914
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: 2.017
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: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -125.068706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.068706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.068706 (E_RNA)
where:
Base-Base interactions energy: -36.707
where: short stacking energy: -36.707
Base-Backbone interact. energy: 0.287
local terms energy: -88.648009
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -24.119
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -13.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -119.461400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.461400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.461400 (E_RNA)
where:
Base-Base interactions energy: -46.580
where: short stacking energy: -41.713
Base-Backbone interact. energy: -0.294
local terms energy: -72.587842
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -8.971
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: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -118.959710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.959710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.959710 (E_RNA)
where:
Base-Base interactions energy: -44.015
where: short stacking energy: -40.908
Base-Backbone interact. energy: -0.026
local terms energy: -74.918805
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -21.572
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -7.820
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: 3
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -129.080603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.080603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.080603 (E_RNA)
where:
Base-Base interactions energy: -53.457
where: short stacking energy: -34.849
Base-Backbone interact. energy: -1.281
local terms energy: -74.342022
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -17.227
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: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -308.748617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.748617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.748617 (E_RNA)
where:
Base-Base interactions energy: -205.285
where: short stacking energy: -98.569
Base-Backbone interact. energy: -0.549
local terms energy: -102.915031
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -22.458
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -22.814
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: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -318.898007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.898007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.898007 (E_RNA)
where:
Base-Base interactions energy: -218.685
where: short stacking energy: -91.442
Base-Backbone interact. energy: 2.135
local terms energy: -102.348525
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -28.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -305.815703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.815703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.815703 (E_RNA)
where:
Base-Base interactions energy: -209.468
where: short stacking energy: -94.075
Base-Backbone interact. energy: 0.208
local terms energy: -96.556365
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -19.924
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -27.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -267.871605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.871605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.871605 (E_RNA)
where:
Base-Base interactions energy: -174.122
where: short stacking energy: -83.084
Base-Backbone interact. energy: 0.777
local terms energy: -94.527474
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -23.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -231.586690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.586690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.586690 (E_RNA)
where:
Base-Base interactions energy: -142.202
where: short stacking energy: -79.995
Base-Backbone interact. energy: -0.406
local terms energy: -88.978030
where:
bonds (distance) C4'-P energy: -24.743
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -20.944
flat angles P-C4'-P energy: -15.430
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: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -138.344254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.344254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.344254 (E_RNA)
where:
Base-Base interactions energy: -68.686
where: short stacking energy: -41.423
Base-Backbone interact. energy: -0.430
local terms energy: -69.227818
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -23.294
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -5.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -110.697755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.697755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.697755 (E_RNA)
where:
Base-Base interactions energy: -43.215
where: short stacking energy: -40.040
Base-Backbone interact. energy: 1.582
local terms energy: -69.064459
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -7.873
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: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -114.091096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.091096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.091096 (E_RNA)
where:
Base-Base interactions energy: -42.161
where: short stacking energy: -42.161
Base-Backbone interact. energy: -0.234
local terms energy: -71.695629
where:
bonds (distance) C4'-P energy: -20.052
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -21.343
flat angles P-C4'-P energy: -13.395
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: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -113.513908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.513908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.513908 (E_RNA)
where:
Base-Base interactions energy: -56.099
where: short stacking energy: -51.401
Base-Backbone interact. energy: -0.411
local terms energy: -57.004230
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -8.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -100.192538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.192538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.192538 (E_RNA)
where:
Base-Base interactions energy: -33.779
where: short stacking energy: -24.967
Base-Backbone interact. energy: -0.451
local terms energy: -65.962065
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -21.290
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -302.510798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.510798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.510798 (E_RNA)
where:
Base-Base interactions energy: -205.255
where: short stacking energy: -87.087
Base-Backbone interact. energy: -0.713
local terms energy: -96.542284
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -24.301
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: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -304.621716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.621716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.621716 (E_RNA)
where:
Base-Base interactions energy: -197.549
where: short stacking energy: -89.914
Base-Backbone interact. energy: 0.202
local terms energy: -107.275157
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -18.337
tors. eta vs tors. theta energy: -27.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -294.211543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.211543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.211543 (E_RNA)
where:
Base-Base interactions energy: -200.300
where: short stacking energy: -86.588
Base-Backbone interact. energy: -0.504
local terms energy: -93.407931
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -26.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -225.247059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.247059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.247059 (E_RNA)
where:
Base-Base interactions energy: -139.509
where: short stacking energy: -72.034
Base-Backbone interact. energy: -0.860
local terms energy: -84.878720
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -22.580
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -10.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -271.634118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.634118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.634118 (E_RNA)
where:
Base-Base interactions energy: -179.596
where: short stacking energy: -87.328
Base-Backbone interact. energy: -0.103
local terms energy: -91.935156
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -25.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -151.179247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.179247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.179247 (E_RNA)
where:
Base-Base interactions energy: -64.188
where: short stacking energy: -54.368
Base-Backbone interact. energy: -0.369
local terms energy: -86.622629
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -148.781155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.781155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.781155 (E_RNA)
where:
Base-Base interactions energy: -72.986
where: short stacking energy: -59.662
Base-Backbone interact. energy: -0.514
local terms energy: -75.280576
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -12.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -118.441444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.441444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.441444 (E_RNA)
where:
Base-Base interactions energy: -52.767
where: short stacking energy: -52.525
Base-Backbone interact. energy: -0.008
local terms energy: -65.667365
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -8.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -111.919043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.919043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.919043 (E_RNA)
where:
Base-Base interactions energy: -41.953
where: short stacking energy: -37.515
Base-Backbone interact. energy: -0.443
local terms energy: -69.522220
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -6.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -107.876297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.876297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.876297 (E_RNA)
where:
Base-Base interactions energy: -45.530
where: short stacking energy: -19.622
Base-Backbone interact. energy: -0.797
local terms energy: -61.550093
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: 1.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -328.898438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.898438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.898438 (E_RNA)
where:
Base-Base interactions energy: -212.502
where: short stacking energy: -96.603
Base-Backbone interact. energy: -0.189
local terms energy: -116.206738
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -26.428
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -30.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -296.312133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.312133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.312133 (E_RNA)
where:
Base-Base interactions energy: -193.463
where: short stacking energy: -98.199
Base-Backbone interact. energy: -0.192
local terms energy: -102.657361
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -22.396
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -19.117
tors. eta vs tors. theta energy: -26.244
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: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -296.062545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.062545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.062545 (E_RNA)
where:
Base-Base interactions energy: -189.116
where: short stacking energy: -83.633
Base-Backbone interact. energy: -1.079
local terms energy: -105.867559
where:
bonds (distance) C4'-P energy: -22.190
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -27.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -243.334348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.334348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.334348 (E_RNA)
where:
Base-Base interactions energy: -158.455
where: short stacking energy: -77.689
Base-Backbone interact. energy: -0.340
local terms energy: -84.539008
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -12.374
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: 5, replica: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -230.621808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.621808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.621808 (E_RNA)
where:
Base-Base interactions energy: -138.407
where: short stacking energy: -68.106
Base-Backbone interact. energy: -0.033
local terms energy: -92.181795
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -21.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -130.342610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.342610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.342610 (E_RNA)
where:
Base-Base interactions energy: -61.831
where: short stacking energy: -26.804
Base-Backbone interact. energy: -0.264
local terms energy: -68.247433
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -118.220763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.220763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.220763 (E_RNA)
where:
Base-Base interactions energy: -55.442
where: short stacking energy: -36.229
Base-Backbone interact. energy: -0.070
local terms energy: -62.708419
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: -0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -113.516818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.516818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.516818 (E_RNA)
where:
Base-Base interactions energy: -45.614
where: short stacking energy: -37.241
Base-Backbone interact. energy: -0.241
local terms energy: -67.661859
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -109.201951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.201951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.201951 (E_RNA)
where:
Base-Base interactions energy: -40.443
where: short stacking energy: -38.581
Base-Backbone interact. energy: -0.348
local terms energy: -68.411546
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: 0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -101.563185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.563185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.563185 (E_RNA)
where:
Base-Base interactions energy: -35.870
where: short stacking energy: -34.906
Base-Backbone interact. energy: -0.257
local terms energy: -65.436060
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -4.591
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: 1, replica: 10
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -331.756775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.756775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.756775 (E_RNA)
where:
Base-Base interactions energy: -224.771
where: short stacking energy: -96.894
Base-Backbone interact. energy: -0.200
local terms energy: -106.786443
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -16.746
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: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -298.662845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.662845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.662845 (E_RNA)
where:
Base-Base interactions energy: -193.889
where: short stacking energy: -92.563
Base-Backbone interact. energy: -0.242
local terms energy: -104.532134
where:
bonds (distance) C4'-P energy: -20.834
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -27.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -289.133867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.133867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.133867 (E_RNA)
where:
Base-Base interactions energy: -190.702
where: short stacking energy: -90.532
Base-Backbone interact. energy: -1.231
local terms energy: -97.200357
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -24.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -248.978206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.978206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.978206 (E_RNA)
where:
Base-Base interactions energy: -154.440
where: short stacking energy: -76.653
Base-Backbone interact. energy: -0.621
local terms energy: -93.917611
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -13.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -207.735522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.735522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.735522 (E_RNA)
where:
Base-Base interactions energy: -122.749
where: short stacking energy: -56.377
Base-Backbone interact. energy: -1.696
local terms energy: -83.290307
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -22.869
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -19.960
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: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -122.072941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.072941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.072941 (E_RNA)
where:
Base-Base interactions energy: -44.859
where: short stacking energy: -42.083
Base-Backbone interact. energy: -0.313
local terms energy: -76.901367
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -134.225899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.225899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.225899 (E_RNA)
where:
Base-Base interactions energy: -63.491
where: short stacking energy: -45.881
Base-Backbone interact. energy: 0.170
local terms energy: -70.904788
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -115.809797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.809797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.809797 (E_RNA)
where:
Base-Base interactions energy: -53.383
where: short stacking energy: -43.184
Base-Backbone interact. energy: -0.163
local terms energy: -62.264524
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: 1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -109.859074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.859074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.859074 (E_RNA)
where:
Base-Base interactions energy: -44.711
where: short stacking energy: -33.761
Base-Backbone interact. energy: -0.631
local terms energy: -64.516373
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -9.623
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: 10, replica: 6
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -110.367009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.367009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.367009 (E_RNA)
where:
Base-Base interactions energy: -38.644
where: short stacking energy: -38.644
Base-Backbone interact. energy: 1.896
local terms energy: -73.619310
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -23.646
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -17.125
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: 1, replica: 10
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -330.343831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.343831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.343831 (E_RNA)
where:
Base-Base interactions energy: -222.910
where: short stacking energy: -95.325
Base-Backbone interact. energy: -0.161
local terms energy: -107.272809
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -27.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -313.154839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.154839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.154839 (E_RNA)
where:
Base-Base interactions energy: -213.702
where: short stacking energy: -91.338
Base-Backbone interact. energy: -0.235
local terms energy: -99.217615
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -12.576
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: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -290.598861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.598861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.598861 (E_RNA)
where:
Base-Base interactions energy: -196.629
where: short stacking energy: -77.769
Base-Backbone interact. energy: -0.289
local terms energy: -93.680379
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -25.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -248.062856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.062856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.062856 (E_RNA)
where:
Base-Base interactions energy: -146.607
where: short stacking energy: -82.194
Base-Backbone interact. energy: -0.002
local terms energy: -101.453619
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -21.745
flat angles P-C4'-P energy: -16.187
tors. eta vs tors. theta energy: -22.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -215.230441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.230441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.230441 (E_RNA)
where:
Base-Base interactions energy: -130.809
where: short stacking energy: -63.498
Base-Backbone interact. energy: -0.193
local terms energy: -84.228605
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -16.397
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: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -126.038049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.038049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.038049 (E_RNA)
where:
Base-Base interactions energy: -48.128
where: short stacking energy: -47.512
Base-Backbone interact. energy: -0.202
local terms energy: -77.707893
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -15.891
tors. eta vs tors. theta energy: -6.733
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: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -159.376517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.376517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.376517 (E_RNA)
where:
Base-Base interactions energy: -95.218
where: short stacking energy: -53.252
Base-Backbone interact. energy: -0.347
local terms energy: -63.811197
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -112.425957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.425957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.425957 (E_RNA)
where:
Base-Base interactions energy: -35.329
where: short stacking energy: -31.908
Base-Backbone interact. energy: -2.077
local terms energy: -75.020291
where:
bonds (distance) C4'-P energy: -19.809
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -111.105364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.105364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.105364 (E_RNA)
where:
Base-Base interactions energy: -40.425
where: short stacking energy: -38.596
Base-Backbone interact. energy: 0.485
local terms energy: -71.165626
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -6.996
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: 286
Temperature: 1.350000
Total energy: -110.376176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.376176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.376176 (E_RNA)
where:
Base-Base interactions energy: -42.612
where: short stacking energy: -27.790
Base-Backbone interact. energy: -0.166
local terms energy: -67.597746
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -1.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -322.362681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.362681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.362681 (E_RNA)
where:
Base-Base interactions energy: -214.225
where: short stacking energy: -90.760
Base-Backbone interact. energy: 0.035
local terms energy: -108.171900
where:
bonds (distance) C4'-P energy: -23.361
bonds (distance) P-C4' energy: -24.747
flat angles C4'-P-C4' energy: -21.123
flat angles P-C4'-P energy: -13.801
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: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -314.533510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.533510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.533510 (E_RNA)
where:
Base-Base interactions energy: -211.597
where: short stacking energy: -86.619
Base-Backbone interact. energy: -0.393
local terms energy: -102.543216
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -14.140
tors. eta vs tors. theta energy: -27.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -300.446677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.446677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.446677 (E_RNA)
where:
Base-Base interactions energy: -197.341
where: short stacking energy: -78.603
Base-Backbone interact. energy: -1.025
local terms energy: -102.080257
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -17.817
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: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -242.562775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.562775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.562775 (E_RNA)
where:
Base-Base interactions energy: -154.464
where: short stacking energy: -73.894
Base-Backbone interact. energy: -0.606
local terms energy: -87.493473
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -20.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -201.838107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.838107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.838107 (E_RNA)
where:
Base-Base interactions energy: -119.110
where: short stacking energy: -59.141
Base-Backbone interact. energy: -0.140
local terms energy: -82.588562
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -18.421
tors. eta vs tors. theta energy: -13.799
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: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -155.141569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.141569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.141569 (E_RNA)
where:
Base-Base interactions energy: -82.103
where: short stacking energy: -48.720
Base-Backbone interact. energy: -0.190
local terms energy: -72.848093
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -8.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -154.542753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.542753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.542753 (E_RNA)
where:
Base-Base interactions energy: -79.567
where: short stacking energy: -57.119
Base-Backbone interact. energy: -0.079
local terms energy: -74.896780
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -13.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -123.918337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.918337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.918337 (E_RNA)
where:
Base-Base interactions energy: -47.419
where: short stacking energy: -38.063
Base-Backbone interact. energy: -0.176
local terms energy: -76.323541
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -23.431
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -108.172613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.172613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.172613 (E_RNA)
where:
Base-Base interactions energy: -34.553
where: short stacking energy: -34.137
Base-Backbone interact. energy: -0.119
local terms energy: -73.500401
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -114.902800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.902800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.902800 (E_RNA)
where:
Base-Base interactions energy: -39.932
where: short stacking energy: -37.357
Base-Backbone interact. energy: -0.342
local terms energy: -74.628546
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -20.451
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -328.033039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.033039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.033039 (E_RNA)
where:
Base-Base interactions energy: -220.005
where: short stacking energy: -89.719
Base-Backbone interact. energy: 0.635
local terms energy: -108.663716
where:
bonds (distance) C4'-P energy: -23.787
bonds (distance) P-C4' energy: -22.389
flat angles C4'-P-C4' energy: -24.147
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -27.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -315.962477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.962477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.962477 (E_RNA)
where:
Base-Base interactions energy: -209.175
where: short stacking energy: -103.492
Base-Backbone interact. energy: -0.481
local terms energy: -106.306017
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -26.129
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -25.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -293.522243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.522243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.522243 (E_RNA)
where:
Base-Base interactions energy: -182.825
where: short stacking energy: -90.012
Base-Backbone interact. energy: 0.252
local terms energy: -110.949994
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -26.574
flat angles P-C4'-P energy: -18.135
tors. eta vs tors. theta energy: -24.741
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: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -238.765910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.765910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.765910 (E_RNA)
where:
Base-Base interactions energy: -144.730
where: short stacking energy: -73.108
Base-Backbone interact. energy: -0.168
local terms energy: -93.867204
where:
bonds (distance) C4'-P energy: -18.901
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -21.236
flat angles P-C4'-P energy: -11.378
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: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -193.606778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.606778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.606778 (E_RNA)
where:
Base-Base interactions energy: -107.530
where: short stacking energy: -60.436
Base-Backbone interact. energy: -0.552
local terms energy: -85.524824
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -21.772
flat angles P-C4'-P energy: -14.551
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: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -178.456071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.456071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.456071 (E_RNA)
where:
Base-Base interactions energy: -97.257
where: short stacking energy: -48.867
Base-Backbone interact. energy: 0.017
local terms energy: -81.216291
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -4.239
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: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -115.372851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.372851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.372851 (E_RNA)
where:
Base-Base interactions energy: -44.609
where: short stacking energy: -36.515
Base-Backbone interact. energy: 0.822
local terms energy: -71.585980
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -5.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -113.329669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.329669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.329669 (E_RNA)
where:
Base-Base interactions energy: -41.178
where: short stacking energy: -38.399
Base-Backbone interact. energy: -0.372
local terms energy: -71.779469
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -6.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -105.089614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.089614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.089614 (E_RNA)
where:
Base-Base interactions energy: -46.225
where: short stacking energy: -30.780
Base-Backbone interact. energy: -0.346
local terms energy: -58.518976
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -20.835
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -0.472
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: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -120.059345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.059345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.059345 (E_RNA)
where:
Base-Base interactions energy: -48.253
where: short stacking energy: -39.025
Base-Backbone interact. energy: -0.181
local terms energy: -71.625480
where:
bonds (distance) C4'-P energy: -21.912
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -328.489733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.489733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.489733 (E_RNA)
where:
Base-Base interactions energy: -225.279
where: short stacking energy: -94.247
Base-Backbone interact. energy: -0.761
local terms energy: -102.448824
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -24.152
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -26.483
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: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -313.742820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.742820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.742820 (E_RNA)
where:
Base-Base interactions energy: -209.871
where: short stacking energy: -83.974
Base-Backbone interact. energy: -0.928
local terms energy: -102.944098
where:
bonds (distance) C4'-P energy: -21.851
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -21.126
flat angles P-C4'-P energy: -16.535
tors. eta vs tors. theta energy: -22.511
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: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -307.396428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.396428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.396428 (E_RNA)
where:
Base-Base interactions energy: -210.939
where: short stacking energy: -93.450
Base-Backbone interact. energy: -0.150
local terms energy: -96.307023
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -17.444
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -23.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -240.219650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.219650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.219650 (E_RNA)
where:
Base-Base interactions energy: -137.266
where: short stacking energy: -80.157
Base-Backbone interact. energy: -0.199
local terms energy: -102.755281
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -26.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -177.846771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.846771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.846771 (E_RNA)
where:
Base-Base interactions energy: -91.004
where: short stacking energy: -69.321
Base-Backbone interact. energy: -0.116
local terms energy: -86.727180
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -13.143
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: 1
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -174.752393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.752393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.752393 (E_RNA)
where:
Base-Base interactions energy: -101.317
where: short stacking energy: -48.924
Base-Backbone interact. energy: -0.005
local terms energy: -73.430271
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -13.033
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: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -125.417486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.417486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.417486 (E_RNA)
where:
Base-Base interactions energy: -50.512
where: short stacking energy: -49.852
Base-Backbone interact. energy: -0.344
local terms energy: -74.560914
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -3.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -114.570409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.570409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.570409 (E_RNA)
where:
Base-Base interactions energy: -44.771
where: short stacking energy: -31.954
Base-Backbone interact. energy: -0.168
local terms energy: -69.631315
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -110.755951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.755951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.755951 (E_RNA)
where:
Base-Base interactions energy: -42.366
where: short stacking energy: -42.366
Base-Backbone interact. energy: 1.134
local terms energy: -69.524188
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -1.301
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: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -107.345102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.345102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.345102 (E_RNA)
where:
Base-Base interactions energy: -37.015
where: short stacking energy: -37.015
Base-Backbone interact. energy: -0.106
local terms energy: -70.223388
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -20.708
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -5.852
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: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -333.714944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.714944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.714944 (E_RNA)
where:
Base-Base interactions energy: -232.797
where: short stacking energy: -102.812
Base-Backbone interact. energy: -0.244
local terms energy: -100.674043
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -26.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -318.293266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.293266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.293266 (E_RNA)
where:
Base-Base interactions energy: -214.463
where: short stacking energy: -91.667
Base-Backbone interact. energy: -0.073
local terms energy: -103.757131
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -23.909
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -29.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -289.354784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.354784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.354784 (E_RNA)
where:
Base-Base interactions energy: -196.508
where: short stacking energy: -86.897
Base-Backbone interact. energy: -0.468
local terms energy: -92.378935
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -20.169
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: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -235.455407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.455407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.455407 (E_RNA)
where:
Base-Base interactions energy: -140.341
where: short stacking energy: -74.815
Base-Backbone interact. energy: -0.195
local terms energy: -94.919409
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -22.645
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: 5, replica: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -175.642313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.642313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.642313 (E_RNA)
where:
Base-Base interactions energy: -94.202
where: short stacking energy: -62.946
Base-Backbone interact. energy: -1.048
local terms energy: -80.392517
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -16.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -180.210963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.210963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.210963 (E_RNA)
where:
Base-Base interactions energy: -112.817
where: short stacking energy: -46.367
Base-Backbone interact. energy: -0.202
local terms energy: -67.192002
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -4.153
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: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -119.783423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.783423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.783423 (E_RNA)
where:
Base-Base interactions energy: -42.541
where: short stacking energy: -42.541
Base-Backbone interact. energy: 0.196
local terms energy: -77.438625
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -22.731
flat angles C4'-P-C4' energy: -19.929
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -118.858416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.858416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.858416 (E_RNA)
where:
Base-Base interactions energy: -37.382
where: short stacking energy: -37.382
Base-Backbone interact. energy: -0.870
local terms energy: -80.606130
where:
bonds (distance) C4'-P energy: -19.051
bonds (distance) P-C4' energy: -23.684
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -102.584509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.584509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.584509 (E_RNA)
where:
Base-Base interactions energy: -38.934
where: short stacking energy: -38.001
Base-Backbone interact. energy: -0.182
local terms energy: -63.468518
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -1.758
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: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -109.792271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.792271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.792271 (E_RNA)
where:
Base-Base interactions energy: -56.079
where: short stacking energy: -48.490
Base-Backbone interact. energy: -0.253
local terms energy: -53.459568
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -334.295128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.295128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.295128 (E_RNA)
where:
Base-Base interactions energy: -225.409
where: short stacking energy: -108.185
Base-Backbone interact. energy: -0.416
local terms energy: -108.470006
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -23.261
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -31.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -321.471412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.471412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.471412 (E_RNA)
where:
Base-Base interactions energy: -215.507
where: short stacking energy: -91.013
Base-Backbone interact. energy: -0.577
local terms energy: -105.387985
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -27.286
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: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -288.273786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.273786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.273786 (E_RNA)
where:
Base-Base interactions energy: -181.323
where: short stacking energy: -87.165
Base-Backbone interact. energy: -0.501
local terms energy: -106.449429
where:
bonds (distance) C4'-P energy: -20.537
bonds (distance) P-C4' energy: -21.848
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -14.185
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: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -240.185044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.185044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.185044 (E_RNA)
where:
Base-Base interactions energy: -146.043
where: short stacking energy: -83.247
Base-Backbone interact. energy: -0.125
local terms energy: -94.017122
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -21.793
flat angles P-C4'-P energy: -14.034
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: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -181.326058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.326058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.326058 (E_RNA)
where:
Base-Base interactions energy: -98.588
where: short stacking energy: -52.564
Base-Backbone interact. energy: 1.606
local terms energy: -84.344382
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -203.006560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.006560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.006560 (E_RNA)
where:
Base-Base interactions energy: -123.770
where: short stacking energy: -66.799
Base-Backbone interact. energy: -1.259
local terms energy: -77.977313
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -15.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -118.639613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.639613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.639613 (E_RNA)
where:
Base-Base interactions energy: -45.683
where: short stacking energy: -31.178
Base-Backbone interact. energy: -1.574
local terms energy: -71.382579
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -5.327
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: 8, replica: 2
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -128.263231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.263231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.263231 (E_RNA)
where:
Base-Base interactions energy: -45.192
where: short stacking energy: -42.000
Base-Backbone interact. energy: -0.061
local terms energy: -83.010387
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -15.516
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: 9, replica: 3
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -100.423767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.423767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.423767 (E_RNA)
where:
Base-Base interactions energy: -34.083
where: short stacking energy: -34.083
Base-Backbone interact. energy: -0.504
local terms energy: -65.837390
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -24.277
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -100.667525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.667525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.667525 (E_RNA)
where:
Base-Base interactions energy: -39.146
where: short stacking energy: -36.571
Base-Backbone interact. energy: -0.035
local terms energy: -61.486343
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -320.842288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.842288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.842288 (E_RNA)
where:
Base-Base interactions energy: -218.643
where: short stacking energy: -93.901
Base-Backbone interact. energy: -0.802
local terms energy: -101.397346
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: -25.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -314.150757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.150757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.150757 (E_RNA)
where:
Base-Base interactions energy: -207.879
where: short stacking energy: -97.201
Base-Backbone interact. energy: -0.247
local terms energy: -106.025548
where:
bonds (distance) C4'-P energy: -23.310
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -28.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -256.901145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.901145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.901145 (E_RNA)
where:
Base-Base interactions energy: -155.361
where: short stacking energy: -82.278
Base-Backbone interact. energy: -0.701
local terms energy: -100.840045
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -22.018
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -22.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -282.680583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.680583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.680583 (E_RNA)
where:
Base-Base interactions energy: -186.679
where: short stacking energy: -78.984
Base-Backbone interact. energy: -0.415
local terms energy: -95.586501
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -22.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -224.447593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.447593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.447593 (E_RNA)
where:
Base-Base interactions energy: -142.944
where: short stacking energy: -64.594
Base-Backbone interact. energy: -0.455
local terms energy: -81.048740
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -16.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -158.312284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.312284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.312284 (E_RNA)
where:
Base-Base interactions energy: -84.698
where: short stacking energy: -53.148
Base-Backbone interact. energy: -0.401
local terms energy: -73.213056
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -6.216
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: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -132.361915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.361915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.361915 (E_RNA)
where:
Base-Base interactions energy: -48.307
where: short stacking energy: -35.856
Base-Backbone interact. energy: -0.339
local terms energy: -83.715994
where:
bonds (distance) C4'-P energy: -21.058
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -10.813
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: 8, replica: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -122.572316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.572316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.572316 (E_RNA)
where:
Base-Base interactions energy: -51.382
where: short stacking energy: -49.931
Base-Backbone interact. energy: -0.616
local terms energy: -70.574832
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -19.762
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -8.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -116.898319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.898319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.898319 (E_RNA)
where:
Base-Base interactions energy: -49.248
where: short stacking energy: -42.685
Base-Backbone interact. energy: -0.066
local terms energy: -67.584986
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -108.475734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.475734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.475734 (E_RNA)
where:
Base-Base interactions energy: -44.655
where: short stacking energy: -36.547
Base-Backbone interact. energy: -0.411
local terms energy: -63.409480
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -19.519
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: -3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -321.160510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.160510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.160510 (E_RNA)
where:
Base-Base interactions energy: -210.780
where: short stacking energy: -99.606
Base-Backbone interact. energy: -0.073
local terms energy: -110.307496
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -24.308
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -30.387
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: 293
Temperature: 0.950000
Total energy: -318.085825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.085825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.085825 (E_RNA)
where:
Base-Base interactions energy: -198.709
where: short stacking energy: -95.893
Base-Backbone interact. energy: -0.171
local terms energy: -119.206153
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -25.877
flat angles P-C4'-P energy: -16.201
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: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -262.915763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.915763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.915763 (E_RNA)
where:
Base-Base interactions energy: -164.435
where: short stacking energy: -98.397
Base-Backbone interact. energy: -0.118
local terms energy: -98.363109
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -20.956
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -27.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -288.708543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.708543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.708543 (E_RNA)
where:
Base-Base interactions energy: -194.639
where: short stacking energy: -85.463
Base-Backbone interact. energy: -0.263
local terms energy: -93.806136
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -21.657
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: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -241.903853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.903853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.903853 (E_RNA)
where:
Base-Base interactions energy: -153.414
where: short stacking energy: -75.754
Base-Backbone interact. energy: 0.748
local terms energy: -89.237561
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -18.528
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: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -167.712260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.712260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.712260 (E_RNA)
where:
Base-Base interactions energy: -88.796
where: short stacking energy: -53.902
Base-Backbone interact. energy: 2.221
local terms energy: -81.137302
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -10.454
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: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -120.506372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.506372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.506372 (E_RNA)
where:
Base-Base interactions energy: -44.569
where: short stacking energy: -39.725
Base-Backbone interact. energy: 0.043
local terms energy: -75.980544
where:
bonds (distance) C4'-P energy: -18.389
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -122.225684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.225684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.225684 (E_RNA)
where:
Base-Base interactions energy: -61.571
where: short stacking energy: -44.628
Base-Backbone interact. energy: -0.350
local terms energy: -60.304960
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -2.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -108.286689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.286689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.286689 (E_RNA)
where:
Base-Base interactions energy: -37.411
where: short stacking energy: -30.484
Base-Backbone interact. energy: -0.324
local terms energy: -70.551930
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -111.574890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.574890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.574890 (E_RNA)
where:
Base-Base interactions energy: -56.160
where: short stacking energy: -32.919
Base-Backbone interact. energy: 3.144
local terms energy: -58.558942
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -317.328323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.328323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.328323 (E_RNA)
where:
Base-Base interactions energy: -215.699
where: short stacking energy: -99.046
Base-Backbone interact. energy: -0.788
local terms energy: -100.840583
where:
bonds (distance) C4'-P energy: -19.766
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -27.603
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: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -326.867910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.867910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.867910 (E_RNA)
where:
Base-Base interactions energy: -217.285
where: short stacking energy: -101.376
Base-Backbone interact. energy: -0.177
local terms energy: -109.405904
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -30.604
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: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -296.120382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.120382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.120382 (E_RNA)
where:
Base-Base interactions energy: -194.321
where: short stacking energy: -84.075
Base-Backbone interact. energy: 0.862
local terms energy: -102.661019
where:
bonds (distance) C4'-P energy: -19.676
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -21.054
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -257.989987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.989987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.989987 (E_RNA)
where:
Base-Base interactions energy: -163.716
where: short stacking energy: -69.691
Base-Backbone interact. energy: -0.138
local terms energy: -94.136681
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -22.478
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -19.630
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: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -260.392298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.392298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.392298 (E_RNA)
where:
Base-Base interactions energy: -156.284
where: short stacking energy: -82.869
Base-Backbone interact. energy: -0.001
local terms energy: -104.106895
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -21.118
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -25.306
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: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -187.693636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.693636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.693636 (E_RNA)
where:
Base-Base interactions energy: -113.885
where: short stacking energy: -62.427
Base-Backbone interact. energy: -1.976
local terms energy: -71.832344
where:
bonds (distance) C4'-P energy: -10.334
bonds (distance) P-C4' energy: -18.782
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -12.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -141.753451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.753451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.753451 (E_RNA)
where:
Base-Base interactions energy: -57.925
where: short stacking energy: -48.191
Base-Backbone interact. energy: -0.009
local terms energy: -83.819944
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -19.518
tors. eta vs tors. theta energy: -8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -132.990843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.990843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.990843 (E_RNA)
where:
Base-Base interactions energy: -63.973
where: short stacking energy: -57.492
Base-Backbone interact. energy: -0.303
local terms energy: -68.714607
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -12.183
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: 9, replica: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -126.504304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.504304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.504304 (E_RNA)
where:
Base-Base interactions energy: -52.378
where: short stacking energy: -47.301
Base-Backbone interact. energy: -0.217
local terms energy: -73.909686
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -112.813292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.813292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.813292 (E_RNA)
where:
Base-Base interactions energy: -46.292
where: short stacking energy: -26.926
Base-Backbone interact. energy: -0.921
local terms energy: -65.600399
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -319.676465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.676465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.676465 (E_RNA)
where:
Base-Base interactions energy: -210.052
where: short stacking energy: -93.642
Base-Backbone interact. energy: -0.175
local terms energy: -109.449929
where:
bonds (distance) C4'-P energy: -21.174
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -18.240
tors. eta vs tors. theta energy: -29.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -318.521678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.521678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.521678 (E_RNA)
where:
Base-Base interactions energy: -217.113
where: short stacking energy: -96.164
Base-Backbone interact. energy: -0.371
local terms energy: -101.037186
where:
bonds (distance) C4'-P energy: -21.810
bonds (distance) P-C4' energy: -21.590
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -26.840
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: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -284.085643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.085643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.085643 (E_RNA)
where:
Base-Base interactions energy: -192.812
where: short stacking energy: -73.721
Base-Backbone interact. energy: -0.585
local terms energy: -90.688654
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -261.923087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.923087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.923087 (E_RNA)
where:
Base-Base interactions energy: -157.618
where: short stacking energy: -87.187
Base-Backbone interact. energy: -0.122
local terms energy: -104.183851
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -19.799
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -24.637
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: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -225.778938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.778938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.778938 (E_RNA)
where:
Base-Base interactions energy: -127.853
where: short stacking energy: -75.854
Base-Backbone interact. energy: -0.500
local terms energy: -97.426450
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -22.259
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: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -160.912530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.912530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.912530 (E_RNA)
where:
Base-Base interactions energy: -81.948
where: short stacking energy: -53.513
Base-Backbone interact. energy: 0.791
local terms energy: -79.755312
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -174.615531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.615531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.615531 (E_RNA)
where:
Base-Base interactions energy: -95.481
where: short stacking energy: -57.407
Base-Backbone interact. energy: -0.124
local terms energy: -79.010822
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -111.625760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.625760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.625760 (E_RNA)
where:
Base-Base interactions energy: -36.000
where: short stacking energy: -35.155
Base-Backbone interact. energy: -0.264
local terms energy: -75.361456
where:
bonds (distance) C4'-P energy: -22.934
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -103.807750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.807750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.807750 (E_RNA)
where:
Base-Base interactions energy: -59.688
where: short stacking energy: -16.790
Base-Backbone interact. energy: -1.209
local terms energy: -42.910736
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -7.041
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: 7.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -108.605413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.605413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.605413 (E_RNA)
where:
Base-Base interactions energy: -36.370
where: short stacking energy: -33.179
Base-Backbone interact. energy: 0.016
local terms energy: -72.250834
where:
bonds (distance) C4'-P energy: -22.530
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -307.804670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.804670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.804670 (E_RNA)
where:
Base-Base interactions energy: -203.616
where: short stacking energy: -102.222
Base-Backbone interact. energy: -0.725
local terms energy: -103.463115
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -26.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -321.326165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.326165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.326165 (E_RNA)
where:
Base-Base interactions energy: -219.288
where: short stacking energy: -98.348
Base-Backbone interact. energy: -0.015
local terms energy: -102.022810
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -26.035
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: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -286.946340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.946340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.946340 (E_RNA)
where:
Base-Base interactions energy: -190.521
where: short stacking energy: -83.109
Base-Backbone interact. energy: -0.297
local terms energy: -96.128067
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -19.446
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -22.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -268.246714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.246714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.246714 (E_RNA)
where:
Base-Base interactions energy: -167.773
where: short stacking energy: -81.884
Base-Backbone interact. energy: -1.068
local terms energy: -99.406138
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -24.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -234.168659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.168659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.168659 (E_RNA)
where:
Base-Base interactions energy: -128.439
where: short stacking energy: -67.750
Base-Backbone interact. energy: -0.151
local terms energy: -105.578397
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -22.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -169.853504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.853504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.853504 (E_RNA)
where:
Base-Base interactions energy: -88.084
where: short stacking energy: -66.372
Base-Backbone interact. energy: -0.073
local terms energy: -81.696439
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -12.351
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: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -116.585847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.585847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.585847 (E_RNA)
where:
Base-Base interactions energy: -55.179
where: short stacking energy: -46.383
Base-Backbone interact. energy: -0.382
local terms energy: -61.024549
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -139.974469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.974469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.974469 (E_RNA)
where:
Base-Base interactions energy: -78.613
where: short stacking energy: -38.458
Base-Backbone interact. energy: -0.874
local terms energy: -60.488134
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -3.738
tors. eta vs tors. theta energy: -3.859
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: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -116.663483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.663483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.663483 (E_RNA)
where:
Base-Base interactions energy: -42.832
where: short stacking energy: -36.085
Base-Backbone interact. energy: -0.194
local terms energy: -73.637643
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -17.756
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: 10, replica: 2
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -98.018175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.018175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.018175 (E_RNA)
where:
Base-Base interactions energy: -38.065
where: short stacking energy: -38.065
Base-Backbone interact. energy: -0.206
local terms energy: -59.747783
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -305.014570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.014570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.014570 (E_RNA)
where:
Base-Base interactions energy: -202.967
where: short stacking energy: -85.004
Base-Backbone interact. energy: -0.779
local terms energy: -101.268100
where:
bonds (distance) C4'-P energy: -22.670
bonds (distance) P-C4' energy: -23.840
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -17.249
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: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -323.916807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.916807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.916807 (E_RNA)
where:
Base-Base interactions energy: -222.879
where: short stacking energy: -93.230
Base-Backbone interact. energy: -2.014
local terms energy: -99.024251
where:
bonds (distance) C4'-P energy: -20.802
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -27.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -305.175365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.175365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.175365 (E_RNA)
where:
Base-Base interactions energy: -200.655
where: short stacking energy: -84.317
Base-Backbone interact. energy: -1.150
local terms energy: -103.370183
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -23.687
flat angles P-C4'-P energy: -17.061
tors. eta vs tors. theta energy: -21.138
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: 4
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -235.196928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.196928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.196928 (E_RNA)
where:
Base-Base interactions energy: -146.236
where: short stacking energy: -78.367
Base-Backbone interact. energy: -0.081
local terms energy: -88.879907
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -21.724
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: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -239.241235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.241235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.241235 (E_RNA)
where:
Base-Base interactions energy: -147.612
where: short stacking energy: -92.127
Base-Backbone interact. energy: -0.412
local terms energy: -91.217049
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -26.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -165.250546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.250546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.250546 (E_RNA)
where:
Base-Base interactions energy: -96.034
where: short stacking energy: -58.034
Base-Backbone interact. energy: -0.750
local terms energy: -68.466606
where:
bonds (distance) C4'-P energy: -22.822
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -1.645
tors. eta vs tors. theta energy: -9.612
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: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -128.488406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.488406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.488406 (E_RNA)
where:
Base-Base interactions energy: -54.595
where: short stacking energy: -45.541
Base-Backbone interact. energy: -0.153
local terms energy: -73.740350
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -9.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -141.611350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.611350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.611350 (E_RNA)
where:
Base-Base interactions energy: -68.877
where: short stacking energy: -42.092
Base-Backbone interact. energy: -2.014
local terms energy: -70.720650
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -4.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -135.329938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.329938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.329938 (E_RNA)
where:
Base-Base interactions energy: -68.717
where: short stacking energy: -40.705
Base-Backbone interact. energy: -0.457
local terms energy: -66.156033
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -10.291
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: 2
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -118.798187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.798187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.798187 (E_RNA)
where:
Base-Base interactions energy: -55.405
where: short stacking energy: -38.496
Base-Backbone interact. energy: -0.002
local terms energy: -63.391477
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -6.866
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: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -329.925790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.925790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.925790 (E_RNA)
where:
Base-Base interactions energy: -228.416
where: short stacking energy: -101.986
Base-Backbone interact. energy: 1.139
local terms energy: -102.648066
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -28.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -319.087455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.087455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.087455 (E_RNA)
where:
Base-Base interactions energy: -221.515
where: short stacking energy: -103.828
Base-Backbone interact. energy: 0.278
local terms energy: -97.849642
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -26.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -297.236984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.236984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.236984 (E_RNA)
where:
Base-Base interactions energy: -199.785
where: short stacking energy: -87.676
Base-Backbone interact. energy: -0.823
local terms energy: -96.629044
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -24.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -244.392055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.392055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.392055 (E_RNA)
where:
Base-Base interactions energy: -159.894
where: short stacking energy: -62.858
Base-Backbone interact. energy: -0.160
local terms energy: -84.337772
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -21.425
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -17.478
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: 298
Temperature: 1.100000
Total energy: -253.179212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.179212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.179212 (E_RNA)
where:
Base-Base interactions energy: -166.040
where: short stacking energy: -80.327
Base-Backbone interact. energy: -0.040
local terms energy: -87.099616
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -21.791
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -17.972
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: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -163.131848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.131848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.131848 (E_RNA)
where:
Base-Base interactions energy: -82.069
where: short stacking energy: -55.080
Base-Backbone interact. energy: -0.133
local terms energy: -80.929725
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -10.815
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: 298
Temperature: 1.200000
Total energy: -130.021739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.021739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.021739 (E_RNA)
where:
Base-Base interactions energy: -57.761
where: short stacking energy: -43.422
Base-Backbone interact. energy: -0.180
local terms energy: -72.080960
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -4.265
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: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -112.080881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.080881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.080881 (E_RNA)
where:
Base-Base interactions energy: -49.757
where: short stacking energy: -38.033
Base-Backbone interact. energy: -0.339
local terms energy: -61.984319
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: 0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -121.929814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.929814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.929814 (E_RNA)
where:
Base-Base interactions energy: -53.346
where: short stacking energy: -38.239
Base-Backbone interact. energy: -0.270
local terms energy: -68.313983
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -2.334
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -113.322496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.322496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.322496 (E_RNA)
where:
Base-Base interactions energy: -45.343
where: short stacking energy: -44.956
Base-Backbone interact. energy: 0.754
local terms energy: -68.733088
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -23.022
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -331.592877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.592877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.592877 (E_RNA)
where:
Base-Base interactions energy: -222.586
where: short stacking energy: -99.602
Base-Backbone interact. energy: -0.512
local terms energy: -108.494851
where:
bonds (distance) C4'-P energy: -20.724
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -18.112
tors. eta vs tors. theta energy: -26.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -310.462013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.462013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.462013 (E_RNA)
where:
Base-Base interactions energy: -210.056
where: short stacking energy: -93.037
Base-Backbone interact. energy: -0.442
local terms energy: -99.964339
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -29.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -300.846368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.846368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.846368 (E_RNA)
where:
Base-Base interactions energy: -203.262
where: short stacking energy: -96.968
Base-Backbone interact. energy: 0.339
local terms energy: -97.923134
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -24.322
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -25.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -266.086728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.086728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.086728 (E_RNA)
where:
Base-Base interactions energy: -168.195
where: short stacking energy: -79.638
Base-Backbone interact. energy: 0.186
local terms energy: -98.077773
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -24.166
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -237.891354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.891354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.891354 (E_RNA)
where:
Base-Base interactions energy: -149.365
where: short stacking energy: -74.030
Base-Backbone interact. energy: 0.273
local terms energy: -88.799179
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -21.345
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -20.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -209.717262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.717262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.717262 (E_RNA)
where:
Base-Base interactions energy: -117.600
where: short stacking energy: -51.619
Base-Backbone interact. energy: 0.005
local terms energy: -92.123038
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -131.457304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.457304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.457304 (E_RNA)
where:
Base-Base interactions energy: -68.165
where: short stacking energy: -42.791
Base-Backbone interact. energy: -0.223
local terms energy: -63.069211
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -7.450
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)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -123.845667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.845667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.845667 (E_RNA)
where:
Base-Base interactions energy: -54.662
where: short stacking energy: -33.315
Base-Backbone interact. energy: 0.539
local terms energy: -69.722637
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -19.540
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -103.785775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.785775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.785775 (E_RNA)
where:
Base-Base interactions energy: -36.614
where: short stacking energy: -33.024
Base-Backbone interact. energy: 0.532
local terms energy: -67.703620
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -13.898
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: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -96.987223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.987223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.987223 (E_RNA)
where:
Base-Base interactions energy: -33.704
where: short stacking energy: -31.825
Base-Backbone interact. energy: -0.401
local terms energy: -62.882038
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -4.449
tors. eta vs tors. theta energy: -0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -323.231018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.231018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.231018 (E_RNA)
where:
Base-Base interactions energy: -219.332
where: short stacking energy: -97.762
Base-Backbone interact. energy: -0.707
local terms energy: -103.191789
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -24.308
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -24.769
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: 10
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -314.887045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.887045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.887045 (E_RNA)
where:
Base-Base interactions energy: -207.302
where: short stacking energy: -92.660
Base-Backbone interact. energy: -0.212
local terms energy: -107.373818
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -22.541
flat angles C4'-P-C4' energy: -21.967
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -26.895
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: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -307.425353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.425353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.425353 (E_RNA)
where:
Base-Base interactions energy: -209.050
where: short stacking energy: -88.883
Base-Backbone interact. energy: -0.231
local terms energy: -98.144543
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -26.258
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: 300
Temperature: 1.050000
Total energy: -249.937018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.937018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.937018 (E_RNA)
where:
Base-Base interactions energy: -164.279
where: short stacking energy: -73.422
Base-Backbone interact. energy: 0.335
local terms energy: -85.993056
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -231.483220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.483220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.483220 (E_RNA)
where:
Base-Base interactions energy: -140.696
where: short stacking energy: -54.130
Base-Backbone interact. energy: 0.283
local terms energy: -91.069723
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -16.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -233.787323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.787323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.787323 (E_RNA)
where:
Base-Base interactions energy: -148.075
where: short stacking energy: -71.550
Base-Backbone interact. energy: -0.181
local terms energy: -85.531964
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -19.591
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: 300
Temperature: 1.200000
Total energy: -146.385251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.385251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.385251 (E_RNA)
where:
Base-Base interactions energy: -75.257
where: short stacking energy: -39.435
Base-Backbone interact. energy: -0.147
local terms energy: -70.980782
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -24.063
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -6.378
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: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -114.223289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.223289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.223289 (E_RNA)
where:
Base-Base interactions energy: -47.850
where: short stacking energy: -24.655
Base-Backbone interact. energy: 1.498
local terms energy: -67.872173
where:
bonds (distance) C4'-P energy: -21.910
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: 3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -106.140914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.140914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.140914 (E_RNA)
where:
Base-Base interactions energy: -36.465
where: short stacking energy: -36.465
Base-Backbone interact. energy: -0.770
local terms energy: -68.905835
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -106.483901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.483901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.483901 (E_RNA)
where:
Base-Base interactions energy: -32.071
where: short stacking energy: -26.368
Base-Backbone interact. energy: -0.322
local terms energy: -74.090270
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -18.708
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: 1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -327.892506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.892506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.892506 (E_RNA)
where:
Base-Base interactions energy: -221.011
where: short stacking energy: -96.330
Base-Backbone interact. energy: 0.081
local terms energy: -106.962831
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -26.237
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -28.778
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: 10
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -305.870735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.870735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.870735 (E_RNA)
where:
Base-Base interactions energy: -198.209
where: short stacking energy: -101.458
Base-Backbone interact. energy: -0.233
local terms energy: -107.427900
where:
bonds (distance) C4'-P energy: -23.169
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -22.325
flat angles P-C4'-P energy: -16.150
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: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -299.700821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.700821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.700821 (E_RNA)
where:
Base-Base interactions energy: -204.795
where: short stacking energy: -89.364
Base-Backbone interact. energy: -0.144
local terms energy: -94.761854
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -21.471
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: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -234.784300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.784300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.784300 (E_RNA)
where:
Base-Base interactions energy: -144.188
where: short stacking energy: -66.628
Base-Backbone interact. energy: -0.286
local terms energy: -90.310122
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -23.867
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -233.873645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.873645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.873645 (E_RNA)
where:
Base-Base interactions energy: -141.976
where: short stacking energy: -74.257
Base-Backbone interact. energy: -0.052
local terms energy: -91.846223
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -18.535
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -231.541036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.541036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.541036 (E_RNA)
where:
Base-Base interactions energy: -146.040
where: short stacking energy: -73.914
Base-Backbone interact. energy: -0.092
local terms energy: -85.409235
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -18.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -120.890969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.890969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.890969 (E_RNA)
where:
Base-Base interactions energy: -42.922
where: short stacking energy: -42.870
Base-Backbone interact. energy: -0.167
local terms energy: -77.801234
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -114.038927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.038927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.038927 (E_RNA)
where:
Base-Base interactions energy: -48.545
where: short stacking energy: -37.605
Base-Backbone interact. energy: -0.189
local terms energy: -65.304837
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -0.225
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: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -124.236462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.236462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.236462 (E_RNA)
where:
Base-Base interactions energy: -50.992
where: short stacking energy: -44.999
Base-Backbone interact. energy: -0.143
local terms energy: -73.101469
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -23.772
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -4.224
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: 301
Temperature: 1.350000
Total energy: -96.002673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.002673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.002673 (E_RNA)
where:
Base-Base interactions energy: -36.843
where: short stacking energy: -30.294
Base-Backbone interact. energy: -0.506
local terms energy: -58.652858
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -12.669
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)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -335.318210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.318210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.318210 (E_RNA)
where:
Base-Base interactions energy: -229.192
where: short stacking energy: -102.599
Base-Backbone interact. energy: -0.220
local terms energy: -105.905705
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -22.028
flat angles C4'-P-C4' energy: -23.581
flat angles P-C4'-P energy: -15.490
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: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -316.994955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.994955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.994955 (E_RNA)
where:
Base-Base interactions energy: -211.280
where: short stacking energy: -100.910
Base-Backbone interact. energy: -0.255
local terms energy: -105.459971
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -23.119
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -26.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -309.286925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.286925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.286925 (E_RNA)
where:
Base-Base interactions energy: -212.614
where: short stacking energy: -95.478
Base-Backbone interact. energy: -0.193
local terms energy: -96.479282
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -17.607
tors. eta vs tors. theta energy: -24.246
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: 3
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -215.527522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.527522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.527522 (E_RNA)
where:
Base-Base interactions energy: -137.314
where: short stacking energy: -55.525
Base-Backbone interact. energy: -0.138
local terms energy: -78.075605
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -14.822
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -240.471179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.471179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.471179 (E_RNA)
where:
Base-Base interactions energy: -155.850
where: short stacking energy: -76.100
Base-Backbone interact. energy: -0.174
local terms energy: -84.446657
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -197.564033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.564033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.564033 (E_RNA)
where:
Base-Base interactions energy: -120.043
where: short stacking energy: -66.389
Base-Backbone interact. energy: 0.668
local terms energy: -78.189093
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -15.932
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: 7, replica: 7
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -120.199146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.199146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.199146 (E_RNA)
where:
Base-Base interactions energy: -49.515
where: short stacking energy: -47.910
Base-Backbone interact. energy: -0.136
local terms energy: -70.547301
where:
bonds (distance) C4'-P energy: -20.032
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -4.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -113.353682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.353682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.353682 (E_RNA)
where:
Base-Base interactions energy: -41.902
where: short stacking energy: -41.902
Base-Backbone interact. energy: -0.412
local terms energy: -71.040111
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -117.331912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.331912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.331912 (E_RNA)
where:
Base-Base interactions energy: -69.963
where: short stacking energy: -33.165
Base-Backbone interact. energy: -0.601
local terms energy: -46.768725
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -9.909
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: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -125.585076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.585076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.585076 (E_RNA)
where:
Base-Base interactions energy: -64.756
where: short stacking energy: -39.595
Base-Backbone interact. energy: -0.309
local terms energy: -60.520436
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -333.951769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.951769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.951769 (E_RNA)
where:
Base-Base interactions energy: -225.804
where: short stacking energy: -97.925
Base-Backbone interact. energy: -0.210
local terms energy: -107.938215
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -23.689
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -25.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -308.675448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.675448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.675448 (E_RNA)
where:
Base-Base interactions energy: -208.358
where: short stacking energy: -82.189
Base-Backbone interact. energy: -0.392
local terms energy: -99.925835
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -23.112
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: 3, replica: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -298.443047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.443047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.443047 (E_RNA)
where:
Base-Base interactions energy: -198.706
where: short stacking energy: -85.858
Base-Backbone interact. energy: -0.092
local terms energy: -99.644764
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -23.116
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -28.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -248.623959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.623959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.623959 (E_RNA)
where:
Base-Base interactions energy: -145.972
where: short stacking energy: -86.050
Base-Backbone interact. energy: -0.156
local terms energy: -102.495438
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -23.339
flat angles C4'-P-C4' energy: -23.904
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -22.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -194.733449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.733449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.733449 (E_RNA)
where:
Base-Base interactions energy: -106.010
where: short stacking energy: -68.762
Base-Backbone interact. energy: -0.326
local terms energy: -88.396700
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -231.298181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.298181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.298181 (E_RNA)
where:
Base-Base interactions energy: -143.199
where: short stacking energy: -57.826
Base-Backbone interact. energy: -1.224
local terms energy: -86.874824
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -163.696645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.696645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.696645 (E_RNA)
where:
Base-Base interactions energy: -91.884
where: short stacking energy: -48.071
Base-Backbone interact. energy: -0.983
local terms energy: -70.830018
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -117.111678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.111678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.111678 (E_RNA)
where:
Base-Base interactions energy: -51.475
where: short stacking energy: -36.103
Base-Backbone interact. energy: 1.651
local terms energy: -67.287755
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -20.635
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -106.424703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.424703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.424703 (E_RNA)
where:
Base-Base interactions energy: -42.122
where: short stacking energy: -32.861
Base-Backbone interact. energy: -1.923
local terms energy: -62.379565
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: 0.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -100.664566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.664566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.664566 (E_RNA)
where:
Base-Base interactions energy: -30.753
where: short stacking energy: -24.401
Base-Backbone interact. energy: 0.166
local terms energy: -70.077773
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -7.148
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: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -330.991175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.991175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.991175 (E_RNA)
where:
Base-Base interactions energy: -224.241
where: short stacking energy: -100.442
Base-Backbone interact. energy: 0.916
local terms energy: -107.666681
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -17.775
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: 304
Temperature: 0.950000
Total energy: -321.613582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.613582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.613582 (E_RNA)
where:
Base-Base interactions energy: -216.374
where: short stacking energy: -88.454
Base-Backbone interact. energy: -0.193
local terms energy: -105.046101
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: -27.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -297.494773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.494773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.494773 (E_RNA)
where:
Base-Base interactions energy: -198.725
where: short stacking energy: -81.904
Base-Backbone interact. energy: 0.111
local terms energy: -98.880891
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -24.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -239.506810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.506810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.506810 (E_RNA)
where:
Base-Base interactions energy: -148.358
where: short stacking energy: -72.491
Base-Backbone interact. energy: -0.158
local terms energy: -90.991058
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -21.367
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -255.925215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.925215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.925215 (E_RNA)
where:
Base-Base interactions energy: -161.849
where: short stacking energy: -74.755
Base-Backbone interact. energy: 0.356
local terms energy: -94.431788
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -18.183
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: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -183.631825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.631825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.631825 (E_RNA)
where:
Base-Base interactions energy: -100.034
where: short stacking energy: -52.702
Base-Backbone interact. energy: -0.436
local terms energy: -83.162312
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -20.364
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -149.890498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.890498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.890498 (E_RNA)
where:
Base-Base interactions energy: -80.446
where: short stacking energy: -49.528
Base-Backbone interact. energy: -0.461
local terms energy: -68.983060
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -7.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -112.382314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.382314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.382314 (E_RNA)
where:
Base-Base interactions energy: -47.075
where: short stacking energy: -31.222
Base-Backbone interact. energy: -0.334
local terms energy: -64.972930
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: 0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -112.384567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.384567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.384567 (E_RNA)
where:
Base-Base interactions energy: -38.385
where: short stacking energy: -35.356
Base-Backbone interact. energy: 0.295
local terms energy: -74.295142
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -5.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -95.140802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.140802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.140802 (E_RNA)
where:
Base-Base interactions energy: -36.795
where: short stacking energy: -33.970
Base-Backbone interact. energy: -0.178
local terms energy: -58.167802
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -330.696741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.696741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.696741 (E_RNA)
where:
Base-Base interactions energy: -218.542
where: short stacking energy: -104.312
Base-Backbone interact. energy: -0.147
local terms energy: -112.007696
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -22.884
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -25.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -313.864329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.864329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.864329 (E_RNA)
where:
Base-Base interactions energy: -209.991
where: short stacking energy: -91.458
Base-Backbone interact. energy: -1.241
local terms energy: -102.631942
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -16.639
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: 3, replica: 10
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -306.061295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.061295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.061295 (E_RNA)
where:
Base-Base interactions energy: -206.062
where: short stacking energy: -91.661
Base-Backbone interact. energy: -0.240
local terms energy: -99.759625
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -18.342
tors. eta vs tors. theta energy: -26.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -275.404608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.404608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.404608 (E_RNA)
where:
Base-Base interactions energy: -184.925
where: short stacking energy: -79.833
Base-Backbone interact. energy: -0.132
local terms energy: -90.348269
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -22.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -229.687816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.687816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.687816 (E_RNA)
where:
Base-Base interactions energy: -136.642
where: short stacking energy: -68.128
Base-Backbone interact. energy: -0.353
local terms energy: -92.692675
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -23.498
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -142.684290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.684290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.684290 (E_RNA)
where:
Base-Base interactions energy: -69.315
where: short stacking energy: -42.973
Base-Backbone interact. energy: -0.158
local terms energy: -73.211505
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -170.663415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.663415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.663415 (E_RNA)
where:
Base-Base interactions energy: -93.873
where: short stacking energy: -56.734
Base-Backbone interact. energy: 0.936
local terms energy: -77.726833
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -11.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -104.957131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.957131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.957131 (E_RNA)
where:
Base-Base interactions energy: -54.186
where: short stacking energy: -44.494
Base-Backbone interact. energy: -0.057
local terms energy: -50.714156
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -18.814
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -2.778
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: 9, replica: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -104.358397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.358397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.358397 (E_RNA)
where:
Base-Base interactions energy: -44.660
where: short stacking energy: -44.198
Base-Backbone interact. energy: -0.177
local terms energy: -59.521507
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -10.892
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -113.706367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.706367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.706367 (E_RNA)
where:
Base-Base interactions energy: -49.883
where: short stacking energy: -38.230
Base-Backbone interact. energy: -0.256
local terms energy: -63.567758
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -11.809
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: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -320.719230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.719230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.719230 (E_RNA)
where:
Base-Base interactions energy: -211.101
where: short stacking energy: -97.963
Base-Backbone interact. energy: -0.147
local terms energy: -109.471086
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -25.289
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -28.898
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: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -319.620041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.620041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.620041 (E_RNA)
where:
Base-Base interactions energy: -221.198
where: short stacking energy: -98.873
Base-Backbone interact. energy: -0.703
local terms energy: -97.719656
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -25.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -312.648240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.648240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.648240 (E_RNA)
where:
Base-Base interactions energy: -212.609
where: short stacking energy: -97.518
Base-Backbone interact. energy: -0.607
local terms energy: -99.432711
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -24.085
flat angles P-C4'-P energy: -14.602
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: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -287.577671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.577671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.577671 (E_RNA)
where:
Base-Base interactions energy: -197.498
where: short stacking energy: -84.390
Base-Backbone interact. energy: -0.225
local terms energy: -89.855102
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -234.594990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.594990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.594990 (E_RNA)
where:
Base-Base interactions energy: -136.860
where: short stacking energy: -78.665
Base-Backbone interact. energy: -0.085
local terms energy: -97.650190
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -26.445
flat angles P-C4'-P energy: -17.778
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: 6, replica: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -165.009074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.009074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.009074 (E_RNA)
where:
Base-Base interactions energy: -84.650
where: short stacking energy: -59.403
Base-Backbone interact. energy: -0.082
local terms energy: -80.276996
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -19.311
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -18.255
tors. eta vs tors. theta energy: -12.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -174.235202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.235202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.235202 (E_RNA)
where:
Base-Base interactions energy: -108.815
where: short stacking energy: -50.995
Base-Backbone interact. energy: -0.123
local terms energy: -65.297980
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -9.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -121.196325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.196325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.196325 (E_RNA)
where:
Base-Base interactions energy: -53.195
where: short stacking energy: -46.699
Base-Backbone interact. energy: 0.508
local terms energy: -68.509473
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -16.759
tors. eta vs tors. theta energy: -6.542
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: 2
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -122.107824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.107824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.107824 (E_RNA)
where:
Base-Base interactions energy: -45.223
where: short stacking energy: -42.918
Base-Backbone interact. energy: -0.067
local terms energy: -76.817496
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -25.044
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -5.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -106.141942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.141942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.141942 (E_RNA)
where:
Base-Base interactions energy: -43.444
where: short stacking energy: -26.269
Base-Backbone interact. energy: 0.738
local terms energy: -63.436460
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: 0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -314.411313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.411313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.411313 (E_RNA)
where:
Base-Base interactions energy: -213.100
where: short stacking energy: -96.740
Base-Backbone interact. energy: -0.122
local terms energy: -101.189259
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -28.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -318.209479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.209479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.209479 (E_RNA)
where:
Base-Base interactions energy: -212.548
where: short stacking energy: -90.461
Base-Backbone interact. energy: 0.812
local terms energy: -106.473674
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -16.557
tors. eta vs tors. theta energy: -25.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -312.829724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.829724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.829724 (E_RNA)
where:
Base-Base interactions energy: -215.620
where: short stacking energy: -93.342
Base-Backbone interact. energy: 0.504
local terms energy: -97.713846
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -26.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -270.071855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.071855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.071855 (E_RNA)
where:
Base-Base interactions energy: -172.210
where: short stacking energy: -79.997
Base-Backbone interact. energy: 0.073
local terms energy: -97.934145
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -22.351
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: -24.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -226.414857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.414857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.414857 (E_RNA)
where:
Base-Base interactions energy: -137.976
where: short stacking energy: -75.878
Base-Backbone interact. energy: -0.195
local terms energy: -88.243327
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -168.321261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.321261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.321261 (E_RNA)
where:
Base-Base interactions energy: -97.340
where: short stacking energy: -55.174
Base-Backbone interact. energy: 0.999
local terms energy: -71.980418
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -7.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -144.591011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.591011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.591011 (E_RNA)
where:
Base-Base interactions energy: -72.919
where: short stacking energy: -43.508
Base-Backbone interact. energy: -1.014
local terms energy: -70.657551
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -6.286
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: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -111.399075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.399075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.399075 (E_RNA)
where:
Base-Base interactions energy: -41.776
where: short stacking energy: -35.119
Base-Backbone interact. energy: -0.110
local terms energy: -69.513221
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: 0.449
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: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -104.384532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.384532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.384532 (E_RNA)
where:
Base-Base interactions energy: -36.413
where: short stacking energy: -29.638
Base-Backbone interact. energy: 0.413
local terms energy: -68.384502
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -21.142
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -14.666
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: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -102.417847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.417847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.417847 (E_RNA)
where:
Base-Base interactions energy: -26.906
where: short stacking energy: -27.088
Base-Backbone interact. energy: -0.363
local terms energy: -75.148744
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -323.132605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.132605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.132605 (E_RNA)
where:
Base-Base interactions energy: -218.356
where: short stacking energy: -96.107
Base-Backbone interact. energy: -0.375
local terms energy: -104.401916
where:
bonds (distance) C4'-P energy: -20.094
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -23.969
flat angles P-C4'-P energy: -14.078
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: 2, replica: 10
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -313.017026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.017026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.017026 (E_RNA)
where:
Base-Base interactions energy: -210.847
where: short stacking energy: -98.915
Base-Backbone interact. energy: -0.101
local terms energy: -102.068799
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -30.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -296.110102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.110102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.110102 (E_RNA)
where:
Base-Base interactions energy: -189.853
where: short stacking energy: -85.683
Base-Backbone interact. energy: -0.137
local terms energy: -106.119901
where:
bonds (distance) C4'-P energy: -22.377
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -22.685
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -21.628
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: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -281.420649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.420649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.420649 (E_RNA)
where:
Base-Base interactions energy: -185.081
where: short stacking energy: -94.476
Base-Backbone interact. energy: -0.008
local terms energy: -96.332402
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -239.642178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.642178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.642178 (E_RNA)
where:
Base-Base interactions energy: -151.613
where: short stacking energy: -77.976
Base-Backbone interact. energy: 1.458
local terms energy: -89.487025
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -20.053
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -180.387469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.387469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.387469 (E_RNA)
where:
Base-Base interactions energy: -96.788
where: short stacking energy: -62.632
Base-Backbone interact. energy: -0.124
local terms energy: -83.474981
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -11.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -137.313197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.313197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.313197 (E_RNA)
where:
Base-Base interactions energy: -54.031
where: short stacking energy: -53.670
Base-Backbone interact. energy: -0.200
local terms energy: -83.082211
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -21.649
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -16.123
tors. eta vs tors. theta energy: -11.839
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: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -109.594592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.594592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.594592 (E_RNA)
where:
Base-Base interactions energy: -34.370
where: short stacking energy: -33.539
Base-Backbone interact. energy: -0.427
local terms energy: -74.797529
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -17.367
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: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -107.094806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.094806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.094806 (E_RNA)
where:
Base-Base interactions energy: -48.284
where: short stacking energy: -38.615
Base-Backbone interact. energy: 0.693
local terms energy: -59.503648
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -4.512
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -3.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -102.394768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.394768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.394768 (E_RNA)
where:
Base-Base interactions energy: -45.001
where: short stacking energy: -45.001
Base-Backbone interact. energy: -0.225
local terms energy: -57.168590
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -319.263537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.263537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.263537 (E_RNA)
where:
Base-Base interactions energy: -214.158
where: short stacking energy: -94.917
Base-Backbone interact. energy: -0.875
local terms energy: -104.230895
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -20.526
flat angles C4'-P-C4' energy: -25.591
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -25.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -301.366973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.366973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.366973 (E_RNA)
where:
Base-Base interactions energy: -198.045
where: short stacking energy: -94.754
Base-Backbone interact. energy: 0.291
local terms energy: -103.612434
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -27.958
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: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -296.540083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.540083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.540083 (E_RNA)
where:
Base-Base interactions energy: -193.209
where: short stacking energy: -86.902
Base-Backbone interact. energy: -0.496
local terms energy: -102.834538
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -23.015
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -25.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -238.856404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.856404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.856404 (E_RNA)
where:
Base-Base interactions energy: -153.658
where: short stacking energy: -79.243
Base-Backbone interact. energy: -0.220
local terms energy: -84.977970
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -21.300
flat angles P-C4'-P energy: -15.031
tors. eta vs tors. theta energy: -14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -244.853066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.853066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.853066 (E_RNA)
where:
Base-Base interactions energy: -157.054
where: short stacking energy: -67.708
Base-Backbone interact. energy: -0.357
local terms energy: -87.441914
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -145.257611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.257611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.257611 (E_RNA)
where:
Base-Base interactions energy: -73.819
where: short stacking energy: -49.386
Base-Backbone interact. energy: 0.354
local terms energy: -71.792369
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -8.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -136.725658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.725658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.725658 (E_RNA)
where:
Base-Base interactions energy: -65.186
where: short stacking energy: -39.471
Base-Backbone interact. energy: -0.044
local terms energy: -71.495180
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -7.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -113.261865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.261865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.261865 (E_RNA)
where:
Base-Base interactions energy: -45.240
where: short stacking energy: -45.668
Base-Backbone interact. energy: -0.414
local terms energy: -67.608300
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -4.318
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: 309
Temperature: 1.300000
Total energy: -102.569735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.569735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.569735 (E_RNA)
where:
Base-Base interactions energy: -39.876
where: short stacking energy: -33.336
Base-Backbone interact. energy: 0.007
local terms energy: -62.701180
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: 0.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -97.709044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.709044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.709044 (E_RNA)
where:
Base-Base interactions energy: -29.537
where: short stacking energy: -29.420
Base-Backbone interact. energy: -0.623
local terms energy: -67.549456
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: 1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -329.779128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.779128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.779128 (E_RNA)
where:
Base-Base interactions energy: -220.214
where: short stacking energy: -97.443
Base-Backbone interact. energy: -0.872
local terms energy: -108.692822
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -23.324
flat angles C4'-P-C4' energy: -23.618
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -27.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -301.566285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.566285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.566285 (E_RNA)
where:
Base-Base interactions energy: -208.286
where: short stacking energy: -89.771
Base-Backbone interact. energy: -0.168
local terms energy: -93.112756
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -21.885
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -303.300649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.300649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.300649 (E_RNA)
where:
Base-Base interactions energy: -207.340
where: short stacking energy: -96.154
Base-Backbone interact. energy: 1.055
local terms energy: -97.015417
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -21.838
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -240.368808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.368808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.368808 (E_RNA)
where:
Base-Base interactions energy: -150.579
where: short stacking energy: -79.838
Base-Backbone interact. energy: -0.705
local terms energy: -89.085196
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -16.224
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -218.655190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.655190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.655190 (E_RNA)
where:
Base-Base interactions energy: -140.667
where: short stacking energy: -62.854
Base-Backbone interact. energy: -0.210
local terms energy: -77.777852
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -148.452267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.452267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.452267 (E_RNA)
where:
Base-Base interactions energy: -76.273
where: short stacking energy: -50.841
Base-Backbone interact. energy: -0.266
local terms energy: -71.913011
where:
bonds (distance) C4'-P energy: -21.667
bonds (distance) P-C4' energy: -19.910
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -124.494495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.494495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.494495 (E_RNA)
where:
Base-Base interactions energy: -60.274
where: short stacking energy: -41.660
Base-Backbone interact. energy: 1.412
local terms energy: -65.632033
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -126.956683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.956683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.956683 (E_RNA)
where:
Base-Base interactions energy: -68.487
where: short stacking energy: -43.088
Base-Backbone interact. energy: -0.126
local terms energy: -58.343868
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -1.201
tors. eta vs tors. theta energy: -5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -122.946812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.946812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.946812 (E_RNA)
where:
Base-Base interactions energy: -56.984
where: short stacking energy: -50.248
Base-Backbone interact. energy: -0.116
local terms energy: -65.847762
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -98.104069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.104069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.104069 (E_RNA)
where:
Base-Base interactions energy: -30.062
where: short stacking energy: -30.062
Base-Backbone interact. energy: -0.968
local terms energy: -67.073902
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -21.385
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -328.988679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.988679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.988679 (E_RNA)
where:
Base-Base interactions energy: -215.187
where: short stacking energy: -100.131
Base-Backbone interact. energy: -0.433
local terms energy: -113.368568
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -29.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -321.001330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.001330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.001330 (E_RNA)
where:
Base-Base interactions energy: -210.064
where: short stacking energy: -93.511
Base-Backbone interact. energy: -0.351
local terms energy: -110.586214
where:
bonds (distance) C4'-P energy: -21.356
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: -28.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -304.421416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.421416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.421416 (E_RNA)
where:
Base-Base interactions energy: -200.974
where: short stacking energy: -91.680
Base-Backbone interact. energy: -0.355
local terms energy: -103.092114
where:
bonds (distance) C4'-P energy: -20.970
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -18.657
tors. eta vs tors. theta energy: -22.235
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: 1
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -268.428610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.428610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.428610 (E_RNA)
where:
Base-Base interactions energy: -170.673
where: short stacking energy: -73.450
Base-Backbone interact. energy: -0.664
local terms energy: -97.091794
where:
bonds (distance) C4'-P energy: -21.379
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -17.783
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -247.343398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.343398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.343398 (E_RNA)
where:
Base-Base interactions energy: -148.682
where: short stacking energy: -85.032
Base-Backbone interact. energy: -0.192
local terms energy: -98.470318
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -14.796
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: 6, replica: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -200.211322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.211322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.211322 (E_RNA)
where:
Base-Base interactions energy: -124.453
where: short stacking energy: -54.869
Base-Backbone interact. energy: -0.157
local terms energy: -75.600962
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -10.551
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: 7, replica: 7
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -116.163614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.163614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.163614 (E_RNA)
where:
Base-Base interactions energy: -46.122
where: short stacking energy: -44.893
Base-Backbone interact. energy: -0.150
local terms energy: -69.890834
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -147.205696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.205696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.205696 (E_RNA)
where:
Base-Base interactions energy: -78.933
where: short stacking energy: -46.399
Base-Backbone interact. energy: -0.461
local terms energy: -67.811321
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -8.404
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: 9, replica: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -107.889890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.889890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.889890 (E_RNA)
where:
Base-Base interactions energy: -39.156
where: short stacking energy: -28.668
Base-Backbone interact. energy: 1.761
local terms energy: -70.494593
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -19.551
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -106.141139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.141139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.141139 (E_RNA)
where:
Base-Base interactions energy: -47.769
where: short stacking energy: -34.049
Base-Backbone interact. energy: -1.431
local terms energy: -56.941070
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: 2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -330.906527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.906527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.906527 (E_RNA)
where:
Base-Base interactions energy: -231.724
where: short stacking energy: -99.084
Base-Backbone interact. energy: -0.131
local terms energy: -99.052336
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -22.959
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -28.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -331.377783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.377783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.377783 (E_RNA)
where:
Base-Base interactions energy: -222.825
where: short stacking energy: -90.390
Base-Backbone interact. energy: -0.258
local terms energy: -108.295323
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -25.036
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -26.064
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: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -304.943317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.943317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.943317 (E_RNA)
where:
Base-Base interactions energy: -204.731
where: short stacking energy: -92.830
Base-Backbone interact. energy: -0.266
local terms energy: -99.946615
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -25.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -248.678480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.678480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.678480 (E_RNA)
where:
Base-Base interactions energy: -163.602
where: short stacking energy: -76.253
Base-Backbone interact. energy: 0.880
local terms energy: -85.956473
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -22.548
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: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -219.912333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.912333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.912333 (E_RNA)
where:
Base-Base interactions energy: -142.586
where: short stacking energy: -64.372
Base-Backbone interact. energy: -0.252
local terms energy: -77.074385
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -16.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -198.893776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.893776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.893776 (E_RNA)
where:
Base-Base interactions energy: -119.725
where: short stacking energy: -63.726
Base-Backbone interact. energy: -0.665
local terms energy: -78.504105
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -157.307123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.307123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.307123 (E_RNA)
where:
Base-Base interactions energy: -84.937
where: short stacking energy: -51.636
Base-Backbone interact. energy: 0.130
local terms energy: -72.499491
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -10.848
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: 8, replica: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -116.715855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.715855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.715855 (E_RNA)
where:
Base-Base interactions energy: -40.234
where: short stacking energy: -38.173
Base-Backbone interact. energy: 0.481
local terms energy: -76.962543
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -24.332
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -3.207
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: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -119.313209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.313209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.313209 (E_RNA)
where:
Base-Base interactions energy: -47.586
where: short stacking energy: -38.440
Base-Backbone interact. energy: 0.644
local terms energy: -72.371483
where:
bonds (distance) C4'-P energy: -20.710
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -99.300957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.300957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.300957 (E_RNA)
where:
Base-Base interactions energy: -33.661
where: short stacking energy: -26.677
Base-Backbone interact. energy: -0.459
local terms energy: -65.180908
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -0.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -324.781416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.781416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.781416 (E_RNA)
where:
Base-Base interactions energy: -220.899
where: short stacking energy: -102.247
Base-Backbone interact. energy: -0.263
local terms energy: -103.619151
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -18.947
flat angles C4'-P-C4' energy: -24.350
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -29.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -317.091675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.091675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.091675 (E_RNA)
where:
Base-Base interactions energy: -210.978
where: short stacking energy: -90.020
Base-Backbone interact. energy: -0.200
local terms energy: -105.913609
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -23.776
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -26.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -319.794947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.794947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.794947 (E_RNA)
where:
Base-Base interactions energy: -223.109
where: short stacking energy: -93.160
Base-Backbone interact. energy: -0.234
local terms energy: -96.451616
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -24.030
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -27.832
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: 4
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -233.023888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.023888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.023888 (E_RNA)
where:
Base-Base interactions energy: -136.006
where: short stacking energy: -77.967
Base-Backbone interact. energy: -0.252
local terms energy: -96.765941
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -20.209
flat angles P-C4'-P energy: -16.918
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -236.699129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.699129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.699129 (E_RNA)
where:
Base-Base interactions energy: -138.981
where: short stacking energy: -73.766
Base-Backbone interact. energy: -0.165
local terms energy: -97.552367
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -18.934
tors. eta vs tors. theta energy: -20.696
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: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -178.442260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.442260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.442260 (E_RNA)
where:
Base-Base interactions energy: -100.029
where: short stacking energy: -54.251
Base-Backbone interact. energy: 0.818
local terms energy: -79.230845
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -14.890
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: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -153.333143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.333143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.333143 (E_RNA)
where:
Base-Base interactions energy: -83.208
where: short stacking energy: -42.995
Base-Backbone interact. energy: -0.245
local terms energy: -69.880010
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -4.362
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: 313
Temperature: 1.250000
Total energy: -152.214327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.214327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.214327 (E_RNA)
where:
Base-Base interactions energy: -67.014
where: short stacking energy: -59.584
Base-Backbone interact. energy: -0.010
local terms energy: -85.189731
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -25.323
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -100.219645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.219645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.219645 (E_RNA)
where:
Base-Base interactions energy: -34.020
where: short stacking energy: -31.487
Base-Backbone interact. energy: -0.195
local terms energy: -66.004464
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: 2.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -99.491442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.491442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.491442 (E_RNA)
where:
Base-Base interactions energy: -33.016
where: short stacking energy: -19.490
Base-Backbone interact. energy: -0.538
local terms energy: -65.936873
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -322.720061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.720061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.720061 (E_RNA)
where:
Base-Base interactions energy: -211.190
where: short stacking energy: -100.274
Base-Backbone interact. energy: -0.695
local terms energy: -110.835239
where:
bonds (distance) C4'-P energy: -22.284
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -24.150
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -29.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -310.039841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.039841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.039841 (E_RNA)
where:
Base-Base interactions energy: -205.099
where: short stacking energy: -91.291
Base-Backbone interact. energy: -0.513
local terms energy: -104.427976
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -16.264
tors. eta vs tors. theta energy: -23.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -307.155888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.155888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.155888 (E_RNA)
where:
Base-Base interactions energy: -206.504
where: short stacking energy: -96.568
Base-Backbone interact. energy: -0.898
local terms energy: -99.753730
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -23.655
flat angles P-C4'-P energy: -18.061
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: 4, replica: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -238.624483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.624483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.624483 (E_RNA)
where:
Base-Base interactions energy: -149.865
where: short stacking energy: -80.749
Base-Backbone interact. energy: 0.825
local terms energy: -89.585303
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -231.846657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.846657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.846657 (E_RNA)
where:
Base-Base interactions energy: -138.603
where: short stacking energy: -66.839
Base-Backbone interact. energy: -0.797
local terms energy: -92.446866
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -21.272
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: 6, replica: 6
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -169.280388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.280388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.280388 (E_RNA)
where:
Base-Base interactions energy: -87.079
where: short stacking energy: -57.183
Base-Backbone interact. energy: -0.341
local terms energy: -81.860278
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -11.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -126.685223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.685223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.685223 (E_RNA)
where:
Base-Base interactions energy: -66.294
where: short stacking energy: -52.827
Base-Backbone interact. energy: -1.044
local terms energy: -59.347337
where:
bonds (distance) C4'-P energy: -20.180
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -109.682721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.682721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.682721 (E_RNA)
where:
Base-Base interactions energy: -46.547
where: short stacking energy: -35.316
Base-Backbone interact. energy: -0.968
local terms energy: -62.167892
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -113.050678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.050678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.050678 (E_RNA)
where:
Base-Base interactions energy: -55.630
where: short stacking energy: -36.589
Base-Backbone interact. energy: -0.687
local terms energy: -56.733526
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -103.691756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.691756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.691756 (E_RNA)
where:
Base-Base interactions energy: -54.630
where: short stacking energy: -42.846
Base-Backbone interact. energy: 0.048
local terms energy: -49.109882
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -325.800882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.800882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.800882 (E_RNA)
where:
Base-Base interactions energy: -217.715
where: short stacking energy: -101.736
Base-Backbone interact. energy: -0.277
local terms energy: -107.808834
where:
bonds (distance) C4'-P energy: -19.920
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -24.923
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -26.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -325.575065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.575065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.575065 (E_RNA)
where:
Base-Base interactions energy: -226.295
where: short stacking energy: -98.833
Base-Backbone interact. energy: -1.159
local terms energy: -98.121237
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -26.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -306.105736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.105736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.105736 (E_RNA)
where:
Base-Base interactions energy: -201.263
where: short stacking energy: -95.801
Base-Backbone interact. energy: -0.209
local terms energy: -104.633285
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -17.000
tors. eta vs tors. theta energy: -23.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -228.862706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.862706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.862706 (E_RNA)
where:
Base-Base interactions energy: -148.043
where: short stacking energy: -71.525
Base-Backbone interact. energy: -0.292
local terms energy: -80.527836
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -19.956
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -246.995374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.995374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.995374 (E_RNA)
where:
Base-Base interactions energy: -154.592
where: short stacking energy: -71.359
Base-Backbone interact. energy: -0.144
local terms energy: -92.259583
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -22.826
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -173.785066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.785066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.785066 (E_RNA)
where:
Base-Base interactions energy: -82.532
where: short stacking energy: -54.927
Base-Backbone interact. energy: -0.122
local terms energy: -91.131253
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -20.438
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: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -145.559686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.559686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.559686 (E_RNA)
where:
Base-Base interactions energy: -85.227
where: short stacking energy: -44.321
Base-Backbone interact. energy: -1.261
local terms energy: -59.071104
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -8.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -110.544891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.544891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.544891 (E_RNA)
where:
Base-Base interactions energy: -42.553
where: short stacking energy: -38.453
Base-Backbone interact. energy: -0.129
local terms energy: -67.862234
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -110.757806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.757806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.757806 (E_RNA)
where:
Base-Base interactions energy: -43.849
where: short stacking energy: -43.849
Base-Backbone interact. energy: 0.815
local terms energy: -67.723504
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -9.085
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: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -111.719400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.719400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.719400 (E_RNA)
where:
Base-Base interactions energy: -53.576
where: short stacking energy: -29.817
Base-Backbone interact. energy: -0.646
local terms energy: -57.497693
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -22.546
flat angles C4'-P-C4' energy: -9.356
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: 3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -328.827915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.827915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.827915 (E_RNA)
where:
Base-Base interactions energy: -220.441
where: short stacking energy: -98.451
Base-Backbone interact. energy: -0.162
local terms energy: -108.225512
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -23.953
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -25.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -324.740798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.740798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.740798 (E_RNA)
where:
Base-Base interactions energy: -218.241
where: short stacking energy: -91.273
Base-Backbone interact. energy: -0.037
local terms energy: -106.462999
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -26.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -300.326208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.326208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.326208 (E_RNA)
where:
Base-Base interactions energy: -197.899
where: short stacking energy: -88.500
Base-Backbone interact. energy: -0.468
local terms energy: -101.958724
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -25.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -241.630404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.630404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.630404 (E_RNA)
where:
Base-Base interactions energy: -144.035
where: short stacking energy: -77.043
Base-Backbone interact. energy: -0.358
local terms energy: -97.238146
where:
bonds (distance) C4'-P energy: -23.734
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -21.230
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: 5, replica: 4
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -237.273219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.273219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.273219 (E_RNA)
where:
Base-Base interactions energy: -144.047
where: short stacking energy: -69.521
Base-Backbone interact. energy: -0.492
local terms energy: -92.734631
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -17.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -151.497827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.497827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.497827 (E_RNA)
where:
Base-Base interactions energy: -78.825
where: short stacking energy: -41.900
Base-Backbone interact. energy: 2.596
local terms energy: -75.268907
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -6.454
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: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -132.893146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.893146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.893146 (E_RNA)
where:
Base-Base interactions energy: -60.892
where: short stacking energy: -47.451
Base-Backbone interact. energy: -0.407
local terms energy: -71.593365
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -140.338665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.338665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.338665 (E_RNA)
where:
Base-Base interactions energy: -63.414
where: short stacking energy: -46.048
Base-Backbone interact. energy: -0.025
local terms energy: -76.899135
where:
bonds (distance) C4'-P energy: -22.516
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -105.522204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.522204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.522204 (E_RNA)
where:
Base-Base interactions energy: -49.495
where: short stacking energy: -45.957
Base-Backbone interact. energy: -0.171
local terms energy: -55.856560
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -2.945
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -109.523515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.523515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.523515 (E_RNA)
where:
Base-Base interactions energy: -38.106
where: short stacking energy: -34.997
Base-Backbone interact. energy: -0.390
local terms energy: -71.027511
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -323.863119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.863119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.863119 (E_RNA)
where:
Base-Base interactions energy: -219.690
where: short stacking energy: -86.213
Base-Backbone interact. energy: 1.356
local terms energy: -105.528610
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -18.992
tors. eta vs tors. theta energy: -27.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -329.055585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.055585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.055585 (E_RNA)
where:
Base-Base interactions energy: -224.918
where: short stacking energy: -97.716
Base-Backbone interact. energy: 0.136
local terms energy: -104.273461
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -29.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -308.648543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.648543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.648543 (E_RNA)
where:
Base-Base interactions energy: -206.238
where: short stacking energy: -87.806
Base-Backbone interact. energy: -0.327
local terms energy: -102.083128
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -23.517
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: 4, replica: 1
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -248.537470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.537470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.537470 (E_RNA)
where:
Base-Base interactions energy: -157.901
where: short stacking energy: -84.212
Base-Backbone interact. energy: -0.716
local terms energy: -89.920270
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -12.009
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: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -226.110481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.110481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.110481 (E_RNA)
where:
Base-Base interactions energy: -135.456
where: short stacking energy: -74.341
Base-Backbone interact. energy: -0.177
local terms energy: -90.477377
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -141.850535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.850535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.850535 (E_RNA)
where:
Base-Base interactions energy: -60.036
where: short stacking energy: -58.689
Base-Backbone interact. energy: -0.988
local terms energy: -80.826262
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -21.903
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -11.444
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: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -175.061294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.061294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.061294 (E_RNA)
where:
Base-Base interactions energy: -95.606
where: short stacking energy: -54.318
Base-Backbone interact. energy: 0.107
local terms energy: -79.562701
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -10.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -128.778958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.778958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.778958 (E_RNA)
where:
Base-Base interactions energy: -55.536
where: short stacking energy: -31.997
Base-Backbone interact. energy: -1.156
local terms energy: -72.087101
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -110.094868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.094868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.094868 (E_RNA)
where:
Base-Base interactions energy: -40.174
where: short stacking energy: -36.926
Base-Backbone interact. energy: 1.388
local terms energy: -71.308934
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -100.922002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.922002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.922002 (E_RNA)
where:
Base-Base interactions energy: -36.336
where: short stacking energy: -22.734
Base-Backbone interact. energy: -0.327
local terms energy: -64.259596
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -11.721
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: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -325.640623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.640623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.640623 (E_RNA)
where:
Base-Base interactions energy: -213.024
where: short stacking energy: -94.070
Base-Backbone interact. energy: -1.024
local terms energy: -111.592171
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -22.188
flat angles C4'-P-C4' energy: -25.490
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: -25.789
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: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -324.476448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.476448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.476448 (E_RNA)
where:
Base-Base interactions energy: -220.852
where: short stacking energy: -99.814
Base-Backbone interact. energy: -0.187
local terms energy: -103.436956
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -27.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -313.763612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.763612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.763612 (E_RNA)
where:
Base-Base interactions energy: -214.539
where: short stacking energy: -73.041
Base-Backbone interact. energy: -0.492
local terms energy: -98.732781
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -21.360
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -241.365540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.365540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.365540 (E_RNA)
where:
Base-Base interactions energy: -153.708
where: short stacking energy: -82.265
Base-Backbone interact. energy: -0.062
local terms energy: -87.595966
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -23.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -209.503018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.503018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.503018 (E_RNA)
where:
Base-Base interactions energy: -115.743
where: short stacking energy: -62.186
Base-Backbone interact. energy: -0.229
local terms energy: -93.531387
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -19.995
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: 8
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -166.164783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.164783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.164783 (E_RNA)
where:
Base-Base interactions energy: -86.985
where: short stacking energy: -52.167
Base-Backbone interact. energy: 0.035
local terms energy: -79.214070
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -10.717
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: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -159.941725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.941725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.941725 (E_RNA)
where:
Base-Base interactions energy: -85.788
where: short stacking energy: -45.545
Base-Backbone interact. energy: 0.074
local terms energy: -74.227292
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -6.422
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: 8, replica: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -119.718187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.718187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.718187 (E_RNA)
where:
Base-Base interactions energy: -44.737
where: short stacking energy: -41.812
Base-Backbone interact. energy: 0.305
local terms energy: -75.286560
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -6.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -112.437792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.437792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.437792 (E_RNA)
where:
Base-Base interactions energy: -37.612
where: short stacking energy: -37.352
Base-Backbone interact. energy: -0.137
local terms energy: -74.689261
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -9.667
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: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -106.557470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.557470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.557470 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -33.546
Base-Backbone interact. energy: -0.282
local terms energy: -71.800378
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -318.534028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.534028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.534028 (E_RNA)
where:
Base-Base interactions energy: -222.543
where: short stacking energy: -91.278
Base-Backbone interact. energy: -0.276
local terms energy: -95.715671
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -24.263
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: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -314.395403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.395403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.395403 (E_RNA)
where:
Base-Base interactions energy: -214.182
where: short stacking energy: -92.471
Base-Backbone interact. energy: 0.851
local terms energy: -101.064812
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -27.232
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: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -309.484756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.484756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.484756 (E_RNA)
where:
Base-Base interactions energy: -213.525
where: short stacking energy: -95.166
Base-Backbone interact. energy: -0.687
local terms energy: -95.272499
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -23.951
flat angles C4'-P-C4' energy: -19.628
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -22.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -227.049518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.049518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.049518 (E_RNA)
where:
Base-Base interactions energy: -136.430
where: short stacking energy: -61.488
Base-Backbone interact. energy: -0.582
local terms energy: -90.037558
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -230.203122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.203122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.203122 (E_RNA)
where:
Base-Base interactions energy: -137.560
where: short stacking energy: -69.585
Base-Backbone interact. energy: -0.228
local terms energy: -92.415362
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -15.674
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: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -189.346372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.346372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.346372 (E_RNA)
where:
Base-Base interactions energy: -117.784
where: short stacking energy: -58.662
Base-Backbone interact. energy: -0.457
local terms energy: -71.105586
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -10.362
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: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -161.958418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.958418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.958418 (E_RNA)
where:
Base-Base interactions energy: -88.492
where: short stacking energy: -53.969
Base-Backbone interact. energy: -0.074
local terms energy: -73.391763
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -8.487
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: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -109.377908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.377908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.377908 (E_RNA)
where:
Base-Base interactions energy: -38.967
where: short stacking energy: -34.254
Base-Backbone interact. energy: -0.827
local terms energy: -69.583995
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -19.677
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: 2.199
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: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -121.178748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.178748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.178748 (E_RNA)
where:
Base-Base interactions energy: -53.917
where: short stacking energy: -36.085
Base-Backbone interact. energy: -0.919
local terms energy: -66.342717
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -114.395784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.395784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.395784 (E_RNA)
where:
Base-Base interactions energy: -37.576
where: short stacking energy: -35.591
Base-Backbone interact. energy: 0.132
local terms energy: -76.951879
where:
bonds (distance) C4'-P energy: -22.118
bonds (distance) P-C4' energy: -23.040
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -327.151102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.151102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.151102 (E_RNA)
where:
Base-Base interactions energy: -217.400
where: short stacking energy: -95.271
Base-Backbone interact. energy: -0.078
local terms energy: -109.673247
where:
bonds (distance) C4'-P energy: -21.481
bonds (distance) P-C4' energy: -19.813
flat angles C4'-P-C4' energy: -24.308
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -28.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -323.817959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.817959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.817959 (E_RNA)
where:
Base-Base interactions energy: -221.571
where: short stacking energy: -100.223
Base-Backbone interact. energy: 0.587
local terms energy: -102.834127
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -23.380
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -24.593
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: 10
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -311.077243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.077243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.077243 (E_RNA)
where:
Base-Base interactions energy: -209.494
where: short stacking energy: -97.806
Base-Backbone interact. energy: -0.211
local terms energy: -101.372424
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -23.530
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -26.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -241.664055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.664055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.664055 (E_RNA)
where:
Base-Base interactions energy: -145.907
where: short stacking energy: -72.005
Base-Backbone interact. energy: -0.204
local terms energy: -95.553088
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -17.700
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: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -244.332391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.332391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.332391 (E_RNA)
where:
Base-Base interactions energy: -138.494
where: short stacking energy: -82.469
Base-Backbone interact. energy: 0.070
local terms energy: -105.909115
where:
bonds (distance) C4'-P energy: -22.315
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -20.820
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -27.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -188.235484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.235484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.235484 (E_RNA)
where:
Base-Base interactions energy: -109.160
where: short stacking energy: -62.748
Base-Backbone interact. energy: -0.400
local terms energy: -78.676027
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -13.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -118.407327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.407327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.407327 (E_RNA)
where:
Base-Base interactions energy: -56.936
where: short stacking energy: -38.170
Base-Backbone interact. energy: 0.336
local terms energy: -61.808001
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: 5.380
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: 8, replica: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -119.039472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.039472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.039472 (E_RNA)
where:
Base-Base interactions energy: -50.115
where: short stacking energy: -34.932
Base-Backbone interact. energy: 1.704
local terms energy: -70.628526
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -103.961429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.961429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.961429 (E_RNA)
where:
Base-Base interactions energy: -41.156
where: short stacking energy: -36.185
Base-Backbone interact. energy: -0.165
local terms energy: -62.640327
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -15.354
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: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -100.658340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.658340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.658340 (E_RNA)
where:
Base-Base interactions energy: -33.735
where: short stacking energy: -24.597
Base-Backbone interact. energy: -1.504
local terms energy: -65.419194
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -22.393
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -10.932
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: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -335.383639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.383639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.383639 (E_RNA)
where:
Base-Base interactions energy: -228.169
where: short stacking energy: -106.631
Base-Backbone interact. energy: -0.202
local terms energy: -107.013603
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -27.489
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: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -322.081739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.081739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.081739 (E_RNA)
where:
Base-Base interactions energy: -224.065
where: short stacking energy: -88.647
Base-Backbone interact. energy: -0.218
local terms energy: -97.799210
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -25.927
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: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -308.817873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.817873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.817873 (E_RNA)
where:
Base-Base interactions energy: -220.059
where: short stacking energy: -98.633
Base-Backbone interact. energy: -0.202
local terms energy: -88.556863
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -26.206
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: 1
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -247.709522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.709522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.709522 (E_RNA)
where:
Base-Base interactions energy: -151.765
where: short stacking energy: -78.543
Base-Backbone interact. energy: -0.132
local terms energy: -95.812904
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -15.597
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: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -246.939530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.939530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.939530 (E_RNA)
where:
Base-Base interactions energy: -151.779
where: short stacking energy: -79.840
Base-Backbone interact. energy: -0.017
local terms energy: -95.143535
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -185.228678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.228678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.228678 (E_RNA)
where:
Base-Base interactions energy: -107.247
where: short stacking energy: -59.781
Base-Backbone interact. energy: 0.176
local terms energy: -78.157712
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -121.551176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.551176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.551176 (E_RNA)
where:
Base-Base interactions energy: -50.540
where: short stacking energy: -33.860
Base-Backbone interact. energy: -0.230
local terms energy: -70.781227
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: 2.874
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: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -124.543657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.543657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.543657 (E_RNA)
where:
Base-Base interactions energy: -53.730
where: short stacking energy: -46.356
Base-Backbone interact. energy: -0.132
local terms energy: -70.682102
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -13.773
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: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -114.437475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.437475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.437475 (E_RNA)
where:
Base-Base interactions energy: -41.220
where: short stacking energy: -40.445
Base-Backbone interact. energy: -0.132
local terms energy: -73.085690
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -22.480
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -12.199
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: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -100.990909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.990909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.990909 (E_RNA)
where:
Base-Base interactions energy: -39.335
where: short stacking energy: -32.391
Base-Backbone interact. energy: -0.623
local terms energy: -61.032987
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -24.128
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -2.916
tors. eta vs tors. theta energy: -5.211
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: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -328.820317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.820317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.820317 (E_RNA)
where:
Base-Base interactions energy: -224.665
where: short stacking energy: -98.548
Base-Backbone interact. energy: -0.196
local terms energy: -103.959591
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -25.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -317.856429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.856429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.856429 (E_RNA)
where:
Base-Base interactions energy: -215.556
where: short stacking energy: -94.620
Base-Backbone interact. energy: -0.681
local terms energy: -101.619719
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -14.696
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: 322
Temperature: 1.000000
Total energy: -303.039529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.039529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.039529 (E_RNA)
where:
Base-Base interactions energy: -203.156
where: short stacking energy: -85.451
Base-Backbone interact. energy: 0.390
local terms energy: -100.273601
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -15.822
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: 4, replica: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -251.714135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.714135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.714135 (E_RNA)
where:
Base-Base interactions energy: -159.569
where: short stacking energy: -84.424
Base-Backbone interact. energy: -0.269
local terms energy: -91.876535
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -24.936
flat angles P-C4'-P energy: -14.654
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: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -245.069017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.069017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.069017 (E_RNA)
where:
Base-Base interactions energy: -159.089
where: short stacking energy: -78.997
Base-Backbone interact. energy: -0.704
local terms energy: -85.276007
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -21.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -198.468968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.468968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.468968 (E_RNA)
where:
Base-Base interactions energy: -122.152
where: short stacking energy: -55.743
Base-Backbone interact. energy: -0.378
local terms energy: -75.939117
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -24.359
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -12.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -118.181229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.181229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.181229 (E_RNA)
where:
Base-Base interactions energy: -38.051
where: short stacking energy: -38.051
Base-Backbone interact. energy: -0.188
local terms energy: -79.942050
where:
bonds (distance) C4'-P energy: -23.094
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -2.458
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: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -112.320040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.320040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.320040 (E_RNA)
where:
Base-Base interactions energy: -47.134
where: short stacking energy: -32.430
Base-Backbone interact. energy: -0.804
local terms energy: -64.381486
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -100.973140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.973140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.973140 (E_RNA)
where:
Base-Base interactions energy: -28.494
where: short stacking energy: -29.563
Base-Backbone interact. energy: -0.354
local terms energy: -72.125605
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -4.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -96.106728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.106728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.106728 (E_RNA)
where:
Base-Base interactions energy: -29.219
where: short stacking energy: -25.134
Base-Backbone interact. energy: -0.413
local terms energy: -66.475037
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -325.710687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.710687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.710687 (E_RNA)
where:
Base-Base interactions energy: -221.476
where: short stacking energy: -92.550
Base-Backbone interact. energy: -0.325
local terms energy: -103.910373
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -23.924
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: -25.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -316.592740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.592740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.592740 (E_RNA)
where:
Base-Base interactions energy: -217.116
where: short stacking energy: -94.951
Base-Backbone interact. energy: -0.124
local terms energy: -99.352711
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -22.917
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -29.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -312.431109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.431109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.431109 (E_RNA)
where:
Base-Base interactions energy: -212.131
where: short stacking energy: -94.426
Base-Backbone interact. energy: -0.551
local terms energy: -99.749328
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -23.632
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -23.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -253.622507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.622507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.622507 (E_RNA)
where:
Base-Base interactions energy: -160.834
where: short stacking energy: -66.919
Base-Backbone interact. energy: -0.913
local terms energy: -91.875741
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -18.686
flat angles C4'-P-C4' energy: -23.117
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -17.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -237.560401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.560401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.560401 (E_RNA)
where:
Base-Base interactions energy: -142.913
where: short stacking energy: -86.411
Base-Backbone interact. energy: -0.111
local terms energy: -94.536818
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -20.956
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -24.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -188.931641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.931641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.931641 (E_RNA)
where:
Base-Base interactions energy: -109.778
where: short stacking energy: -54.560
Base-Backbone interact. energy: -0.100
local terms energy: -79.053252
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -11.830
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: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -145.609338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.609338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.609338 (E_RNA)
where:
Base-Base interactions energy: -72.020
where: short stacking energy: -58.721
Base-Backbone interact. energy: -0.392
local terms energy: -73.197285
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -123.232036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.232036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.232036 (E_RNA)
where:
Base-Base interactions energy: -56.779
where: short stacking energy: -30.474
Base-Backbone interact. energy: -0.646
local terms energy: -65.807142
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -1.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -122.413052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.413052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.413052 (E_RNA)
where:
Base-Base interactions energy: -41.453
where: short stacking energy: -37.813
Base-Backbone interact. energy: -0.057
local terms energy: -80.902535
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -22.242
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -105.225619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.225619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.225619 (E_RNA)
where:
Base-Base interactions energy: -45.716
where: short stacking energy: -30.240
Base-Backbone interact. energy: -0.224
local terms energy: -59.286150
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -2.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -302.172324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.172324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.172324 (E_RNA)
where:
Base-Base interactions energy: -194.347
where: short stacking energy: -92.039
Base-Backbone interact. energy: -0.682
local terms energy: -107.142787
where:
bonds (distance) C4'-P energy: -23.280
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -25.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -314.748220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.748220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.748220 (E_RNA)
where:
Base-Base interactions energy: -218.344
where: short stacking energy: -94.710
Base-Backbone interact. energy: -0.111
local terms energy: -96.292944
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -28.470
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: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -327.017220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.017220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.017220 (E_RNA)
where:
Base-Base interactions energy: -221.432
where: short stacking energy: -99.105
Base-Backbone interact. energy: -0.344
local terms energy: -105.241099
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -22.928
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -29.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -242.076218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.076218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.076218 (E_RNA)
where:
Base-Base interactions energy: -151.391
where: short stacking energy: -79.448
Base-Backbone interact. energy: -0.108
local terms energy: -90.577261
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -24.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -235.275144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.275144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.275144 (E_RNA)
where:
Base-Base interactions energy: -143.087
where: short stacking energy: -75.158
Base-Backbone interact. energy: -0.489
local terms energy: -91.699124
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -184.701898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.701898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.701898 (E_RNA)
where:
Base-Base interactions energy: -96.723
where: short stacking energy: -61.240
Base-Backbone interact. energy: -0.304
local terms energy: -87.674411
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -22.962
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -14.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -185.982971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.982971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.982971 (E_RNA)
where:
Base-Base interactions energy: -111.237
where: short stacking energy: -62.309
Base-Backbone interact. energy: 0.339
local terms energy: -75.085062
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -16.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -163.185396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.185396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.185396 (E_RNA)
where:
Base-Base interactions energy: -78.010
where: short stacking energy: -51.051
Base-Backbone interact. energy: -0.095
local terms energy: -85.079893
where:
bonds (distance) C4'-P energy: -24.499
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -23.182
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -9.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -98.919972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.919972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.919972 (E_RNA)
where:
Base-Base interactions energy: -36.197
where: short stacking energy: -34.340
Base-Backbone interact. energy: 0.888
local terms energy: -63.610294
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: 1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -110.010719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.010719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.010719 (E_RNA)
where:
Base-Base interactions energy: -41.178
where: short stacking energy: -24.482
Base-Backbone interact. energy: -0.963
local terms energy: -67.869908
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -21.426
flat angles P-C4'-P energy: -5.019
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -323.792085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.792085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.792085 (E_RNA)
where:
Base-Base interactions energy: -218.993
where: short stacking energy: -95.181
Base-Backbone interact. energy: -0.532
local terms energy: -104.267359
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -15.515
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: 2, replica: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -312.604271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.604271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.604271 (E_RNA)
where:
Base-Base interactions energy: -208.388
where: short stacking energy: -91.009
Base-Backbone interact. energy: -0.182
local terms energy: -104.033996
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -20.843
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -17.042
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: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -308.008926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.008926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.008926 (E_RNA)
where:
Base-Base interactions energy: -202.973
where: short stacking energy: -98.097
Base-Backbone interact. energy: 0.383
local terms energy: -105.419087
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -20.331
flat angles P-C4'-P energy: -17.259
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: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -261.602982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.602982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.602982 (E_RNA)
where:
Base-Base interactions energy: -161.728
where: short stacking energy: -81.440
Base-Backbone interact. energy: -0.060
local terms energy: -99.815692
where:
bonds (distance) C4'-P energy: -20.438
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -22.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -223.189261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.189261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.189261 (E_RNA)
where:
Base-Base interactions energy: -128.514
where: short stacking energy: -72.845
Base-Backbone interact. energy: -0.104
local terms energy: -94.571338
where:
bonds (distance) C4'-P energy: -24.850
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -21.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -194.090522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.090522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.090522 (E_RNA)
where:
Base-Base interactions energy: -101.863
where: short stacking energy: -63.942
Base-Backbone interact. energy: 0.433
local terms energy: -92.660481
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -20.303
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -185.137236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.137236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.137236 (E_RNA)
where:
Base-Base interactions energy: -98.824
where: short stacking energy: -52.562
Base-Backbone interact. energy: -0.122
local terms energy: -86.190517
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -9.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -118.968884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.968884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.968884 (E_RNA)
where:
Base-Base interactions energy: -44.043
where: short stacking energy: -42.910
Base-Backbone interact. energy: -0.616
local terms energy: -74.310505
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -9.325
flat angles P-C4'-P energy: -15.472
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -105.067773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.067773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.067773 (E_RNA)
where:
Base-Base interactions energy: -41.347
where: short stacking energy: -41.084
Base-Backbone interact. energy: -0.041
local terms energy: -63.679970
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -6.375
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: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -105.553131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.553131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.553131 (E_RNA)
where:
Base-Base interactions energy: -39.630
where: short stacking energy: -32.032
Base-Backbone interact. energy: -0.113
local terms energy: -65.810458
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -12.389
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)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -315.343586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.343586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.343586 (E_RNA)
where:
Base-Base interactions energy: -207.861
where: short stacking energy: -90.932
Base-Backbone interact. energy: -1.030
local terms energy: -106.452544
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -17.902
tors. eta vs tors. theta energy: -26.484
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: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -323.977077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.977077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.977077 (E_RNA)
where:
Base-Base interactions energy: -221.418
where: short stacking energy: -97.662
Base-Backbone interact. energy: -1.084
local terms energy: -101.474949
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -22.122
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -305.627899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.627899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.627899 (E_RNA)
where:
Base-Base interactions energy: -213.778
where: short stacking energy: -92.396
Base-Backbone interact. energy: -0.223
local terms energy: -91.627288
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -18.715
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: 4
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -237.821506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.821506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.821506 (E_RNA)
where:
Base-Base interactions energy: -149.632
where: short stacking energy: -85.230
Base-Backbone interact. energy: -0.183
local terms energy: -88.006249
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -21.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -238.893122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.893122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.893122 (E_RNA)
where:
Base-Base interactions energy: -147.537
where: short stacking energy: -87.818
Base-Backbone interact. energy: -0.824
local terms energy: -90.532124
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -21.813
flat angles C4'-P-C4' energy: -22.364
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -21.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -188.964195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.964195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.964195 (E_RNA)
where:
Base-Base interactions energy: -108.301
where: short stacking energy: -60.329
Base-Backbone interact. energy: -0.012
local terms energy: -80.651330
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -11.618
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: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -136.650707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.650707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.650707 (E_RNA)
where:
Base-Base interactions energy: -67.469
where: short stacking energy: -37.971
Base-Backbone interact. energy: -0.160
local terms energy: -69.022397
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -5.668
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: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -132.497106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.497106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.497106 (E_RNA)
where:
Base-Base interactions energy: -57.857
where: short stacking energy: -41.245
Base-Backbone interact. energy: -0.333
local terms energy: -74.307504
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -9.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -113.232521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.232521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.232521 (E_RNA)
where:
Base-Base interactions energy: -43.039
where: short stacking energy: -31.939
Base-Backbone interact. energy: 0.635
local terms energy: -70.828452
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -12.678
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: 3
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -104.204409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.204409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.204409 (E_RNA)
where:
Base-Base interactions energy: -47.074
where: short stacking energy: -21.333
Base-Backbone interact. energy: -0.165
local terms energy: -56.965086
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: 1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -319.582809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.582809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.582809 (E_RNA)
where:
Base-Base interactions energy: -212.399
where: short stacking energy: -77.314
Base-Backbone interact. energy: -0.494
local terms energy: -106.689627
where:
bonds (distance) C4'-P energy: -23.907
bonds (distance) P-C4' energy: -22.720
flat angles C4'-P-C4' energy: -20.479
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -22.786
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: 327
Temperature: 0.950000
Total energy: -306.718716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.718716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.718716 (E_RNA)
where:
Base-Base interactions energy: -207.831
where: short stacking energy: -96.334
Base-Backbone interact. energy: -0.306
local terms energy: -98.581570
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -20.689
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -26.073
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: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -329.454469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.454469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.454469 (E_RNA)
where:
Base-Base interactions energy: -224.605
where: short stacking energy: -93.106
Base-Backbone interact. energy: -0.824
local terms energy: -104.025292
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: -27.246
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: 327
Temperature: 1.050000
Total energy: -235.841103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.841103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.841103 (E_RNA)
where:
Base-Base interactions energy: -140.719
where: short stacking energy: -78.872
Base-Backbone interact. energy: -1.006
local terms energy: -94.115508
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -19.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -238.376952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.376952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.376952 (E_RNA)
where:
Base-Base interactions energy: -146.157
where: short stacking energy: -80.253
Base-Backbone interact. energy: -0.785
local terms energy: -91.435112
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -21.770
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: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -149.293306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.293306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.293306 (E_RNA)
where:
Base-Base interactions energy: -68.654
where: short stacking energy: -58.927
Base-Backbone interact. energy: 0.149
local terms energy: -80.788343
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -183.569544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.569544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.569544 (E_RNA)
where:
Base-Base interactions energy: -99.134
where: short stacking energy: -57.940
Base-Backbone interact. energy: -0.030
local terms energy: -84.405021
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -21.777
flat angles C4'-P-C4' energy: -20.813
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -120.807995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.807995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.807995 (E_RNA)
where:
Base-Base interactions energy: -44.979
where: short stacking energy: -40.969
Base-Backbone interact. energy: -0.253
local terms energy: -75.575891
where:
bonds (distance) C4'-P energy: -17.260
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -9.669
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: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -111.944063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.944063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.944063 (E_RNA)
where:
Base-Base interactions energy: -40.833
where: short stacking energy: -26.685
Base-Backbone interact. energy: -2.121
local terms energy: -68.989510
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -19.507
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: 327
Temperature: 1.350000
Total energy: -101.709372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.709372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.709372 (E_RNA)
where:
Base-Base interactions energy: -40.647
where: short stacking energy: -34.603
Base-Backbone interact. energy: -0.351
local terms energy: -60.711821
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -11.421
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: 1, replica: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -334.676498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.676498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.676498 (E_RNA)
where:
Base-Base interactions energy: -232.817
where: short stacking energy: -98.134
Base-Backbone interact. energy: -0.230
local terms energy: -101.629713
where:
bonds (distance) C4'-P energy: -22.711
bonds (distance) P-C4' energy: -21.360
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -27.040
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: 10
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -312.379124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.379124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.379124 (E_RNA)
where:
Base-Base interactions energy: -208.925
where: short stacking energy: -82.245
Base-Backbone interact. energy: -0.326
local terms energy: -103.127673
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -24.291
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -21.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -313.120819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.120819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.120819 (E_RNA)
where:
Base-Base interactions energy: -212.790
where: short stacking energy: -105.118
Base-Backbone interact. energy: -0.169
local terms energy: -100.161701
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -23.885
flat angles P-C4'-P energy: -13.766
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: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -238.026184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.026184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.026184 (E_RNA)
where:
Base-Base interactions energy: -136.117
where: short stacking energy: -77.676
Base-Backbone interact. energy: 0.822
local terms energy: -102.731859
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -24.617
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -24.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -230.794889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.794889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.794889 (E_RNA)
where:
Base-Base interactions energy: -149.832
where: short stacking energy: -66.223
Base-Backbone interact. energy: -0.322
local terms energy: -80.641493
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -19.315
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: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -150.290087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.290087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.290087 (E_RNA)
where:
Base-Base interactions energy: -65.488
where: short stacking energy: -61.035
Base-Backbone interact. energy: -1.476
local terms energy: -83.325841
where:
bonds (distance) C4'-P energy: -20.252
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -9.550
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: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -122.801622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.801622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.801622 (E_RNA)
where:
Base-Base interactions energy: -49.565
where: short stacking energy: -40.715
Base-Backbone interact. energy: -0.616
local terms energy: -72.620254
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -167.250172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.250172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.250172 (E_RNA)
where:
Base-Base interactions energy: -92.445
where: short stacking energy: -55.398
Base-Backbone interact. energy: -0.203
local terms energy: -74.602091
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -23.414
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -2.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -111.734312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.734312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.734312 (E_RNA)
where:
Base-Base interactions energy: -42.622
where: short stacking energy: -38.004
Base-Backbone interact. energy: -0.069
local terms energy: -69.042860
where:
bonds (distance) C4'-P energy: -20.408
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -5.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -113.866187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.866187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.866187 (E_RNA)
where:
Base-Base interactions energy: -36.923
where: short stacking energy: -33.443
Base-Backbone interact. energy: -0.620
local terms energy: -76.323298
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -322.003489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.003489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.003489 (E_RNA)
where:
Base-Base interactions energy: -223.098
where: short stacking energy: -94.149
Base-Backbone interact. energy: 0.049
local terms energy: -98.954066
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -25.175
flat angles C4'-P-C4' energy: -20.773
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -23.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -319.890173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.890173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.890173 (E_RNA)
where:
Base-Base interactions energy: -208.371
where: short stacking energy: -97.488
Base-Backbone interact. energy: -0.230
local terms energy: -111.289071
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -24.480
flat angles P-C4'-P energy: -19.597
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: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -312.660960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.660960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.660960 (E_RNA)
where:
Base-Base interactions energy: -214.428
where: short stacking energy: -99.849
Base-Backbone interact. energy: -0.616
local terms energy: -97.616937
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -28.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -239.141026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.141026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.141026 (E_RNA)
where:
Base-Base interactions energy: -158.824
where: short stacking energy: -76.088
Base-Backbone interact. energy: -0.265
local terms energy: -80.051933
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -222.238708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.238708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.238708 (E_RNA)
where:
Base-Base interactions energy: -130.980
where: short stacking energy: -65.239
Base-Backbone interact. energy: -0.257
local terms energy: -91.002114
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -15.408
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: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -124.872503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.872503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.872503 (E_RNA)
where:
Base-Base interactions energy: -46.588
where: short stacking energy: -46.588
Base-Backbone interact. energy: -0.268
local terms energy: -78.016253
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -8.583
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: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -126.199880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.199880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.199880 (E_RNA)
where:
Base-Base interactions energy: -55.274
where: short stacking energy: -38.450
Base-Backbone interact. energy: -0.230
local terms energy: -70.695585
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -168.802899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.802899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.802899 (E_RNA)
where:
Base-Base interactions energy: -96.712
where: short stacking energy: -58.261
Base-Backbone interact. energy: 1.338
local terms energy: -73.428756
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -111.132061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.132061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.132061 (E_RNA)
where:
Base-Base interactions energy: -42.854
where: short stacking energy: -40.573
Base-Backbone interact. energy: -0.130
local terms energy: -68.147952
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -100.140585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.140585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.140585 (E_RNA)
where:
Base-Base interactions energy: -43.049
where: short stacking energy: -33.923
Base-Backbone interact. energy: -0.265
local terms energy: -56.827227
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -4.110
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: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -319.211563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.211563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.211563 (E_RNA)
where:
Base-Base interactions energy: -212.529
where: short stacking energy: -99.608
Base-Backbone interact. energy: 0.698
local terms energy: -107.380531
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -24.550
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -28.521
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: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -324.891695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.891695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.891695 (E_RNA)
where:
Base-Base interactions energy: -223.609
where: short stacking energy: -90.427
Base-Backbone interact. energy: -0.731
local terms energy: -100.551798
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -13.813
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: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -302.092716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.092716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.092716 (E_RNA)
where:
Base-Base interactions energy: -193.820
where: short stacking energy: -84.624
Base-Backbone interact. energy: -0.183
local terms energy: -108.089563
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -20.783
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -27.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -266.314097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.314097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.314097 (E_RNA)
where:
Base-Base interactions energy: -176.349
where: short stacking energy: -84.638
Base-Backbone interact. energy: -0.397
local terms energy: -89.568858
where:
bonds (distance) C4'-P energy: -18.243
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -20.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -224.906743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.906743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.906743 (E_RNA)
where:
Base-Base interactions energy: -127.199
where: short stacking energy: -69.929
Base-Backbone interact. energy: -0.823
local terms energy: -96.884998
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -21.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -174.084453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.084453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.084453 (E_RNA)
where:
Base-Base interactions energy: -92.776
where: short stacking energy: -66.978
Base-Backbone interact. energy: -0.055
local terms energy: -81.253469
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -13.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -123.078174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.078174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.078174 (E_RNA)
where:
Base-Base interactions energy: -54.998
where: short stacking energy: -54.294
Base-Backbone interact. energy: -0.194
local terms energy: -67.886610
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -115.995003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.995003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.995003 (E_RNA)
where:
Base-Base interactions energy: -39.208
where: short stacking energy: -34.895
Base-Backbone interact. energy: -0.149
local terms energy: -76.637510
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -103.074713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.074713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.074713 (E_RNA)
where:
Base-Base interactions energy: -34.935
where: short stacking energy: -30.767
Base-Backbone interact. energy: 1.312
local terms energy: -69.451517
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: 0.478
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: 330
Temperature: 1.350000
Total energy: -110.423847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.423847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.423847 (E_RNA)
where:
Base-Base interactions energy: -43.397
where: short stacking energy: -43.397
Base-Backbone interact. energy: 0.441
local terms energy: -67.468120
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -2.457
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -321.461984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.461984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.461984 (E_RNA)
where:
Base-Base interactions energy: -217.865
where: short stacking energy: -99.605
Base-Backbone interact. energy: 1.071
local terms energy: -104.667802
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -16.460
tors. eta vs tors. theta energy: -26.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -324.678980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.678980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.678980 (E_RNA)
where:
Base-Base interactions energy: -224.373
where: short stacking energy: -103.515
Base-Backbone interact. energy: -0.826
local terms energy: -99.480262
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -303.422237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.422237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.422237 (E_RNA)
where:
Base-Base interactions energy: -221.241
where: short stacking energy: -82.091
Base-Backbone interact. energy: -0.275
local terms energy: -81.905904
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -271.955937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.955937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.955937 (E_RNA)
where:
Base-Base interactions energy: -171.905
where: short stacking energy: -84.661
Base-Backbone interact. energy: -0.224
local terms energy: -99.827186
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -17.443
tors. eta vs tors. theta energy: -22.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -222.119280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.119280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.119280 (E_RNA)
where:
Base-Base interactions energy: -131.018
where: short stacking energy: -70.417
Base-Backbone interact. energy: 0.276
local terms energy: -91.377969
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -11.974
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: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -189.089001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.089001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.089001 (E_RNA)
where:
Base-Base interactions energy: -106.353
where: short stacking energy: -64.761
Base-Backbone interact. energy: -0.120
local terms energy: -82.616484
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -13.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -133.608971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.608971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.608971 (E_RNA)
where:
Base-Base interactions energy: -63.379
where: short stacking energy: -43.884
Base-Backbone interact. energy: 1.931
local terms energy: -72.161096
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -9.908
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: 8, replica: 3
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -109.875064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.875064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.875064 (E_RNA)
where:
Base-Base interactions energy: -40.433
where: short stacking energy: -31.139
Base-Backbone interact. energy: -0.580
local terms energy: -68.861854
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: 0.320
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: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -123.232888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.232888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.232888 (E_RNA)
where:
Base-Base interactions energy: -60.123
where: short stacking energy: -42.856
Base-Backbone interact. energy: 0.386
local terms energy: -63.496389
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -19.295
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -5.915
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: 2
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -105.477953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.477953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.477953 (E_RNA)
where:
Base-Base interactions energy: -43.734
where: short stacking energy: -30.904
Base-Backbone interact. energy: 0.762
local terms energy: -62.506124
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -336.245580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.245580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.245580 (E_RNA)
where:
Base-Base interactions energy: -229.218
where: short stacking energy: -95.496
Base-Backbone interact. energy: -0.171
local terms energy: -106.856155
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -24.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -315.873511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.873511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.873511 (E_RNA)
where:
Base-Base interactions energy: -208.315
where: short stacking energy: -96.126
Base-Backbone interact. energy: -0.365
local terms energy: -107.194299
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -23.820
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -28.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -313.588953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.588953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.588953 (E_RNA)
where:
Base-Base interactions energy: -209.702
where: short stacking energy: -88.413
Base-Backbone interact. energy: -0.555
local terms energy: -103.331334
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -21.080
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -27.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -282.300042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.300042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.300042 (E_RNA)
where:
Base-Base interactions energy: -188.576
where: short stacking energy: -85.720
Base-Backbone interact. energy: -0.869
local terms energy: -92.855647
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -15.598
tors. eta vs tors. theta energy: -23.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -237.355898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.355898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.355898 (E_RNA)
where:
Base-Base interactions energy: -137.568
where: short stacking energy: -78.991
Base-Backbone interact. energy: -1.132
local terms energy: -98.656450
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -21.329
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -16.910
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: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -178.976129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.976129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.976129 (E_RNA)
where:
Base-Base interactions energy: -95.115
where: short stacking energy: -57.399
Base-Backbone interact. energy: -0.080
local terms energy: -83.781483
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -11.313
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: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -175.891490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.891490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.891490 (E_RNA)
where:
Base-Base interactions energy: -94.154
where: short stacking energy: -58.997
Base-Backbone interact. energy: -1.492
local terms energy: -80.246109
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -22.366
flat angles P-C4'-P energy: -8.417
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: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -118.926041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.926041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.926041 (E_RNA)
where:
Base-Base interactions energy: -48.973
where: short stacking energy: -44.354
Base-Backbone interact. energy: -0.895
local terms energy: -69.057871
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: 2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -109.691097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.691097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.691097 (E_RNA)
where:
Base-Base interactions energy: -40.955
where: short stacking energy: -37.797
Base-Backbone interact. energy: -0.283
local terms energy: -68.453088
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -10.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -102.397858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.397858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.397858 (E_RNA)
where:
Base-Base interactions energy: -39.429
where: short stacking energy: -30.177
Base-Backbone interact. energy: -0.705
local terms energy: -62.263666
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -6.909
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: 1, replica: 10
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -332.046135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.046135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.046135 (E_RNA)
where:
Base-Base interactions energy: -221.759
where: short stacking energy: -91.759
Base-Backbone interact. energy: 0.926
local terms energy: -111.213365
where:
bonds (distance) C4'-P energy: -21.283
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -25.032
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -26.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -316.125853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.125853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.125853 (E_RNA)
where:
Base-Base interactions energy: -213.126
where: short stacking energy: -97.160
Base-Backbone interact. energy: -0.179
local terms energy: -102.820395
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -15.821
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: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -326.949953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.949953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.949953 (E_RNA)
where:
Base-Base interactions energy: -215.075
where: short stacking energy: -99.995
Base-Backbone interact. energy: -0.495
local terms energy: -111.380653
where:
bonds (distance) C4'-P energy: -23.605
bonds (distance) P-C4' energy: -23.123
flat angles C4'-P-C4' energy: -24.236
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -25.667
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: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -270.229779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.229779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.229779 (E_RNA)
where:
Base-Base interactions energy: -169.491
where: short stacking energy: -79.794
Base-Backbone interact. energy: 0.442
local terms energy: -101.180277
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -235.306099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.306099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.306099 (E_RNA)
where:
Base-Base interactions energy: -146.880
where: short stacking energy: -83.668
Base-Backbone interact. energy: -0.202
local terms energy: -88.224095
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -23.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -204.313273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.313273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.313273 (E_RNA)
where:
Base-Base interactions energy: -120.221
where: short stacking energy: -68.486
Base-Backbone interact. energy: -0.886
local terms energy: -83.205369
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -12.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -158.158651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.158651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.158651 (E_RNA)
where:
Base-Base interactions energy: -84.101
where: short stacking energy: -46.555
Base-Backbone interact. energy: -1.109
local terms energy: -72.948503
where:
bonds (distance) C4'-P energy: -20.569
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -9.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -137.595822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.595822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.595822 (E_RNA)
where:
Base-Base interactions energy: -66.339
where: short stacking energy: -50.075
Base-Backbone interact. energy: -0.774
local terms energy: -70.482847
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -7.220
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: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -112.797530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.797530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.797530 (E_RNA)
where:
Base-Base interactions energy: -51.008
where: short stacking energy: -44.767
Base-Backbone interact. energy: -0.567
local terms energy: -61.222989
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -105.775802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.775802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.775802 (E_RNA)
where:
Base-Base interactions energy: -37.031
where: short stacking energy: -28.315
Base-Backbone interact. energy: -0.218
local terms energy: -68.527245
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -329.743015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.743015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.743015 (E_RNA)
where:
Base-Base interactions energy: -221.994
where: short stacking energy: -95.339
Base-Backbone interact. energy: 1.382
local terms energy: -109.131492
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -23.632
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -30.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -309.999629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.999629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.999629 (E_RNA)
where:
Base-Base interactions energy: -207.628
where: short stacking energy: -100.096
Base-Backbone interact. energy: -0.030
local terms energy: -102.342144
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -24.685
flat angles C4'-P-C4' energy: -21.567
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -27.249
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: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -306.490779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.490779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.490779 (E_RNA)
where:
Base-Base interactions energy: -206.247
where: short stacking energy: -97.033
Base-Backbone interact. energy: -0.107
local terms energy: -100.136486
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -21.479
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -27.233
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: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -267.567820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.567820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.567820 (E_RNA)
where:
Base-Base interactions energy: -176.681
where: short stacking energy: -90.310
Base-Backbone interact. energy: -0.528
local terms energy: -90.358245
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -22.390
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -23.584
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: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -205.554478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.554478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.554478 (E_RNA)
where:
Base-Base interactions energy: -120.839
where: short stacking energy: -61.296
Base-Backbone interact. energy: -0.122
local terms energy: -84.593200
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -17.910
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: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -225.159532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.159532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.159532 (E_RNA)
where:
Base-Base interactions energy: -135.466
where: short stacking energy: -79.065
Base-Backbone interact. energy: -0.379
local terms energy: -89.314012
where:
bonds (distance) C4'-P energy: -16.832
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -21.580
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -200.629098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.629098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.629098 (E_RNA)
where:
Base-Base interactions energy: -107.652
where: short stacking energy: -61.076
Base-Backbone interact. energy: -0.947
local terms energy: -92.030628
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -20.608
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -18.556
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: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -121.307459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.307459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.307459 (E_RNA)
where:
Base-Base interactions energy: -62.534
where: short stacking energy: -46.628
Base-Backbone interact. energy: -0.158
local terms energy: -58.615850
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -114.587734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.587734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.587734 (E_RNA)
where:
Base-Base interactions energy: -37.477
where: short stacking energy: -36.423
Base-Backbone interact. energy: -0.086
local terms energy: -77.024298
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -22.819
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -8.149
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: 10, replica: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -105.007028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.007028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.007028 (E_RNA)
where:
Base-Base interactions energy: -57.507
where: short stacking energy: -34.020
Base-Backbone interact. energy: -0.518
local terms energy: -46.982248
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -8.441
flat angles P-C4'-P energy: -4.910
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)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -325.276559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.276559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.276559 (E_RNA)
where:
Base-Base interactions energy: -224.055
where: short stacking energy: -92.622
Base-Backbone interact. energy: -0.303
local terms energy: -100.919324
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -26.420
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: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -331.780824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.780824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.780824 (E_RNA)
where:
Base-Base interactions energy: -225.914
where: short stacking energy: -93.068
Base-Backbone interact. energy: -0.092
local terms energy: -105.774725
where:
bonds (distance) C4'-P energy: -22.772
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -23.758
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -23.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -309.135784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.135784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.135784 (E_RNA)
where:
Base-Base interactions energy: -207.663
where: short stacking energy: -98.912
Base-Backbone interact. energy: -0.554
local terms energy: -100.918520
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -17.672
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: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -266.172370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.172370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.172370 (E_RNA)
where:
Base-Base interactions energy: -175.235
where: short stacking energy: -77.840
Base-Backbone interact. energy: -0.109
local terms energy: -90.828778
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -21.930
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -22.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -210.497255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.497255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.497255 (E_RNA)
where:
Base-Base interactions energy: -120.222
where: short stacking energy: -64.164
Base-Backbone interact. energy: -0.829
local terms energy: -89.446325
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -210.795872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.795872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.795872 (E_RNA)
where:
Base-Base interactions energy: -129.445
where: short stacking energy: -68.172
Base-Backbone interact. energy: -0.024
local terms energy: -81.326283
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -14.343
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: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -165.581133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.581133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.581133 (E_RNA)
where:
Base-Base interactions energy: -99.334
where: short stacking energy: -56.752
Base-Backbone interact. energy: -0.852
local terms energy: -65.395242
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -7.224
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: 8, replica: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -123.963884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.963884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.963884 (E_RNA)
where:
Base-Base interactions energy: -57.029
where: short stacking energy: -50.945
Base-Backbone interact. energy: -0.048
local terms energy: -66.887327
where:
bonds (distance) C4'-P energy: -18.918
bonds (distance) P-C4' energy: -9.453
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -10.625
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: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -108.056482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.056482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.056482 (E_RNA)
where:
Base-Base interactions energy: -43.253
where: short stacking energy: -31.856
Base-Backbone interact. energy: -0.355
local terms energy: -64.448496
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -21.939
flat angles P-C4'-P energy: -9.140
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: 10, replica: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -110.370090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.370090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.370090 (E_RNA)
where:
Base-Base interactions energy: -40.314
where: short stacking energy: -26.985
Base-Backbone interact. energy: -3.034
local terms energy: -67.022036
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -331.705026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.705026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.705026 (E_RNA)
where:
Base-Base interactions energy: -228.065
where: short stacking energy: -99.022
Base-Backbone interact. energy: 0.220
local terms energy: -103.860123
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -18.427
tors. eta vs tors. theta energy: -22.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -325.390496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.390496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.390496 (E_RNA)
where:
Base-Base interactions energy: -220.001
where: short stacking energy: -86.779
Base-Backbone interact. energy: 0.791
local terms energy: -106.180226
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -25.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -269.530175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.530175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.530175 (E_RNA)
where:
Base-Base interactions energy: -175.417
where: short stacking energy: -87.748
Base-Backbone interact. energy: -0.011
local terms energy: -94.102588
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -20.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -295.058076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.058076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.058076 (E_RNA)
where:
Base-Base interactions energy: -194.110
where: short stacking energy: -100.502
Base-Backbone interact. energy: 0.904
local terms energy: -101.851774
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -27.963
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: 336
Temperature: 1.100000
Total energy: -234.021169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.021169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.021169 (E_RNA)
where:
Base-Base interactions energy: -145.982
where: short stacking energy: -80.315
Base-Backbone interact. energy: -0.126
local terms energy: -87.913004
where:
bonds (distance) C4'-P energy: -24.428
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -12.736
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: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -208.980260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.980260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.980260 (E_RNA)
where:
Base-Base interactions energy: -129.194
where: short stacking energy: -70.671
Base-Backbone interact. energy: -0.845
local terms energy: -78.941658
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -125.264611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.264611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.264611 (E_RNA)
where:
Base-Base interactions energy: -56.818
where: short stacking energy: -47.886
Base-Backbone interact. energy: 0.638
local terms energy: -69.085385
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -125.254671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.254671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.254671 (E_RNA)
where:
Base-Base interactions energy: -58.194
where: short stacking energy: -55.563
Base-Backbone interact. energy: -0.008
local terms energy: -67.052658
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -10.046
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: 336
Temperature: 1.300000
Total energy: -111.584014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.584014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.584014 (E_RNA)
where:
Base-Base interactions energy: -46.960
where: short stacking energy: -33.818
Base-Backbone interact. energy: -0.913
local terms energy: -63.710860
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -23.153
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: 4.561
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: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -102.227958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.227958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.227958 (E_RNA)
where:
Base-Base interactions energy: -33.180
where: short stacking energy: -32.467
Base-Backbone interact. energy: -0.190
local terms energy: -68.857608
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: 1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -322.622971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.622971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.622971 (E_RNA)
where:
Base-Base interactions energy: -211.699
where: short stacking energy: -92.990
Base-Backbone interact. energy: 0.538
local terms energy: -111.462357
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -23.119
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -28.091
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: 10
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -323.300436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.300436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.300436 (E_RNA)
where:
Base-Base interactions energy: -219.498
where: short stacking energy: -98.113
Base-Backbone interact. energy: -0.741
local terms energy: -103.062191
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -28.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -267.459098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.459098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.459098 (E_RNA)
where:
Base-Base interactions energy: -173.002
where: short stacking energy: -83.304
Base-Backbone interact. energy: -0.326
local terms energy: -94.130490
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -21.526
flat angles C4'-P-C4' energy: -21.633
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -21.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -305.813398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.813398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.813398 (E_RNA)
where:
Base-Base interactions energy: -203.266
where: short stacking energy: -91.109
Base-Backbone interact. energy: -0.121
local terms energy: -102.426743
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -24.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -215.507120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.507120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.507120 (E_RNA)
where:
Base-Base interactions energy: -133.713
where: short stacking energy: -67.957
Base-Backbone interact. energy: -0.385
local terms energy: -81.409562
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -182.380926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.380926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.380926 (E_RNA)
where:
Base-Base interactions energy: -110.305
where: short stacking energy: -48.923
Base-Backbone interact. energy: -1.035
local terms energy: -71.040919
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -6.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -121.985278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.985278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.985278 (E_RNA)
where:
Base-Base interactions energy: -44.469
where: short stacking energy: -44.469
Base-Backbone interact. energy: -0.075
local terms energy: -77.440983
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -16.278
tors. eta vs tors. theta energy: -6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -118.050992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.050992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.050992 (E_RNA)
where:
Base-Base interactions energy: -56.819
where: short stacking energy: -35.611
Base-Backbone interact. energy: -0.135
local terms energy: -61.097104
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: 0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -116.424598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.424598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.424598 (E_RNA)
where:
Base-Base interactions energy: -46.583
where: short stacking energy: -30.771
Base-Backbone interact. energy: -1.276
local terms energy: -68.565438
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -20.484
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -100.117262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.117262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.117262 (E_RNA)
where:
Base-Base interactions energy: -35.910
where: short stacking energy: -36.010
Base-Backbone interact. energy: 1.627
local terms energy: -65.834321
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -6.194
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: 1, replica: 10
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -329.797384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.797384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.797384 (E_RNA)
where:
Base-Base interactions energy: -218.280
where: short stacking energy: -102.187
Base-Backbone interact. energy: -0.226
local terms energy: -111.292049
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -21.673
flat angles C4'-P-C4' energy: -24.024
flat angles P-C4'-P energy: -18.523
tors. eta vs tors. theta energy: -26.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -321.359703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.359703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.359703 (E_RNA)
where:
Base-Base interactions energy: -213.839
where: short stacking energy: -85.470
Base-Backbone interact. energy: -0.367
local terms energy: -107.153710
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -24.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -308.214982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.214982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.214982 (E_RNA)
where:
Base-Base interactions energy: -206.973
where: short stacking energy: -93.333
Base-Backbone interact. energy: -0.202
local terms energy: -101.039402
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -28.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -251.628022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.628022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.628022 (E_RNA)
where:
Base-Base interactions energy: -157.908
where: short stacking energy: -73.717
Base-Backbone interact. energy: -0.454
local terms energy: -93.266010
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -22.294
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: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -218.074657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.074657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.074657 (E_RNA)
where:
Base-Base interactions energy: -137.749
where: short stacking energy: -79.741
Base-Backbone interact. energy: -0.046
local terms energy: -80.279512
where:
bonds (distance) C4'-P energy: -6.998
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -151.513521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.513521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.513521 (E_RNA)
where:
Base-Base interactions energy: -80.639
where: short stacking energy: -67.936
Base-Backbone interact. energy: -0.179
local terms energy: -70.695714
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -10.616
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: 2
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -129.817217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.817217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.817217 (E_RNA)
where:
Base-Base interactions energy: -53.892
where: short stacking energy: -53.892
Base-Backbone interact. energy: -0.068
local terms energy: -75.857622
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -9.926
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: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -119.595023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.595023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.595023 (E_RNA)
where:
Base-Base interactions energy: -48.846
where: short stacking energy: -43.343
Base-Backbone interact. energy: -1.587
local terms energy: -69.162510
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -7.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -119.042208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.042208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.042208 (E_RNA)
where:
Base-Base interactions energy: -46.504
where: short stacking energy: -42.547
Base-Backbone interact. energy: -0.166
local terms energy: -72.372456
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -23.150
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -102.335530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.335530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.335530 (E_RNA)
where:
Base-Base interactions energy: -42.293
where: short stacking energy: -39.340
Base-Backbone interact. energy: -0.723
local terms energy: -59.319058
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -2.516
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: 1, replica: 10
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -321.372765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.372765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.372765 (E_RNA)
where:
Base-Base interactions energy: -220.200
where: short stacking energy: -94.609
Base-Backbone interact. energy: -0.095
local terms energy: -101.077513
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -20.999
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -28.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -321.064167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.064167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.064167 (E_RNA)
where:
Base-Base interactions energy: -207.959
where: short stacking energy: -91.982
Base-Backbone interact. energy: -0.392
local terms energy: -112.713212
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -23.010
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -25.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -302.921119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.921119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.921119 (E_RNA)
where:
Base-Base interactions energy: -208.113
where: short stacking energy: -96.094
Base-Backbone interact. energy: -0.185
local terms energy: -94.622959
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -24.876
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: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -249.904272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.904272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.904272 (E_RNA)
where:
Base-Base interactions energy: -152.071
where: short stacking energy: -85.396
Base-Backbone interact. energy: -0.383
local terms energy: -97.449588
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -17.117
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: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -244.635512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.635512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.635512 (E_RNA)
where:
Base-Base interactions energy: -164.128
where: short stacking energy: -84.604
Base-Backbone interact. energy: -0.628
local terms energy: -79.879014
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -20.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -125.910151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.910151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.910151 (E_RNA)
where:
Base-Base interactions energy: -47.767
where: short stacking energy: -44.446
Base-Backbone interact. energy: -0.358
local terms energy: -77.785685
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -21.350
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -141.999656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.999656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.999656 (E_RNA)
where:
Base-Base interactions energy: -69.622
where: short stacking energy: -39.373
Base-Backbone interact. energy: 0.285
local terms energy: -72.662011
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -115.530962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.530962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.530962 (E_RNA)
where:
Base-Base interactions energy: -54.239
where: short stacking energy: -42.993
Base-Backbone interact. energy: -0.150
local terms energy: -61.142526
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -113.565683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.565683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.565683 (E_RNA)
where:
Base-Base interactions energy: -51.174
where: short stacking energy: -23.798
Base-Backbone interact. energy: -0.626
local terms energy: -61.765919
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: 1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -124.552888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.552888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.552888 (E_RNA)
where:
Base-Base interactions energy: -51.957
where: short stacking energy: -46.263
Base-Backbone interact. energy: 1.147
local terms energy: -73.742767
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -318.070861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.070861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.070861 (E_RNA)
where:
Base-Base interactions energy: -212.268
where: short stacking energy: -93.317
Base-Backbone interact. energy: -0.202
local terms energy: -105.600641
where:
bonds (distance) C4'-P energy: -24.878
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -18.447
tors. eta vs tors. theta energy: -26.752
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: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -323.002184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.002184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.002184 (E_RNA)
where:
Base-Base interactions energy: -217.907
where: short stacking energy: -98.710
Base-Backbone interact. energy: -0.812
local terms energy: -104.283177
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -22.351
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -28.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -313.473934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.473934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.473934 (E_RNA)
where:
Base-Base interactions energy: -217.238
where: short stacking energy: -95.332
Base-Backbone interact. energy: -0.119
local terms energy: -96.117398
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -21.175
flat angles P-C4'-P energy: -14.807
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: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -239.865045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.865045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.865045 (E_RNA)
where:
Base-Base interactions energy: -155.462
where: short stacking energy: -80.470
Base-Backbone interact. energy: -0.270
local terms energy: -84.132998
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -15.921
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -242.038984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.038984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.038984 (E_RNA)
where:
Base-Base interactions energy: -147.419
where: short stacking energy: -91.261
Base-Backbone interact. energy: 0.953
local terms energy: -95.572524
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -24.211
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: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -128.004848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.004848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.004848 (E_RNA)
where:
Base-Base interactions energy: -64.467
where: short stacking energy: -51.522
Base-Backbone interact. energy: -0.165
local terms energy: -63.372142
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -128.292090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.292090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.292090 (E_RNA)
where:
Base-Base interactions energy: -61.459
where: short stacking energy: -48.992
Base-Backbone interact. energy: 2.040
local terms energy: -68.873115
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -8.851
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: 8, replica: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -126.881564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.881564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.881564 (E_RNA)
where:
Base-Base interactions energy: -65.034
where: short stacking energy: -33.237
Base-Backbone interact. energy: -0.284
local terms energy: -61.563832
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: 4.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -115.146207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.146207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.146207 (E_RNA)
where:
Base-Base interactions energy: -49.896
where: short stacking energy: -49.896
Base-Backbone interact. energy: -1.559
local terms energy: -63.691865
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -105.144017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.144017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.144017 (E_RNA)
where:
Base-Base interactions energy: -37.827
where: short stacking energy: -34.083
Base-Backbone interact. energy: -0.532
local terms energy: -66.784660
where:
bonds (distance) C4'-P energy: -17.508
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -326.461484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.461484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.461484 (E_RNA)
where:
Base-Base interactions energy: -218.015
where: short stacking energy: -94.759
Base-Backbone interact. energy: -0.181
local terms energy: -108.266078
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -22.803
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: -25.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -313.120416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.120416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.120416 (E_RNA)
where:
Base-Base interactions energy: -208.941
where: short stacking energy: -99.327
Base-Backbone interact. energy: -0.021
local terms energy: -104.158777
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -17.610
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: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -317.095889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.095889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.095889 (E_RNA)
where:
Base-Base interactions energy: -214.058
where: short stacking energy: -96.183
Base-Backbone interact. energy: -0.493
local terms energy: -102.545096
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -22.006
flat angles C4'-P-C4' energy: -24.996
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -27.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -237.434349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.434349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.434349 (E_RNA)
where:
Base-Base interactions energy: -141.974
where: short stacking energy: -73.655
Base-Backbone interact. energy: -0.124
local terms energy: -95.336302
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -21.482
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -19.746
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: 5, replica: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -241.711753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.711753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.711753 (E_RNA)
where:
Base-Base interactions energy: -155.798
where: short stacking energy: -84.262
Base-Backbone interact. energy: -0.042
local terms energy: -85.872268
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -21.325
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -169.621617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.621617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.621617 (E_RNA)
where:
Base-Base interactions energy: -102.691
where: short stacking energy: -71.389
Base-Backbone interact. energy: -0.346
local terms energy: -66.584563
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -135.527822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.527822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.527822 (E_RNA)
where:
Base-Base interactions energy: -61.530
where: short stacking energy: -46.514
Base-Backbone interact. energy: -0.303
local terms energy: -73.694833
where:
bonds (distance) C4'-P energy: -21.389
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -115.875624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.875624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.875624 (E_RNA)
where:
Base-Base interactions energy: -46.642
where: short stacking energy: -45.378
Base-Backbone interact. energy: -0.195
local terms energy: -69.038529
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -10.651
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: 9, replica: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -103.385392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.385392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.385392 (E_RNA)
where:
Base-Base interactions energy: -38.878
where: short stacking energy: -32.306
Base-Backbone interact. energy: -1.130
local terms energy: -63.377944
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: 2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -122.142909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.142909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.142909 (E_RNA)
where:
Base-Base interactions energy: -50.886
where: short stacking energy: -39.511
Base-Backbone interact. energy: -0.171
local terms energy: -71.085122
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -337.255066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.255066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.255066 (E_RNA)
where:
Base-Base interactions energy: -227.713
where: short stacking energy: -102.878
Base-Backbone interact. energy: -0.072
local terms energy: -109.470217
where:
bonds (distance) C4'-P energy: -22.297
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -25.626
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -29.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -317.691535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.691535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.691535 (E_RNA)
where:
Base-Base interactions energy: -213.402
where: short stacking energy: -99.059
Base-Backbone interact. energy: -0.151
local terms energy: -104.137875
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -24.637
flat angles P-C4'-P energy: -16.218
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: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -318.323139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.323139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.323139 (E_RNA)
where:
Base-Base interactions energy: -206.958
where: short stacking energy: -94.802
Base-Backbone interact. energy: -0.215
local terms energy: -111.150225
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -22.837
flat angles C4'-P-C4' energy: -25.446
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -27.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -250.255789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.255789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.255789 (E_RNA)
where:
Base-Base interactions energy: -154.139
where: short stacking energy: -88.364
Base-Backbone interact. energy: -0.403
local terms energy: -95.714281
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -22.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -226.172417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.172417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.172417 (E_RNA)
where:
Base-Base interactions energy: -139.263
where: short stacking energy: -72.259
Base-Backbone interact. energy: 0.597
local terms energy: -87.507041
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -159.136294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.136294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.136294 (E_RNA)
where:
Base-Base interactions energy: -93.302
where: short stacking energy: -36.202
Base-Backbone interact. energy: 4.492
local terms energy: -70.325606
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -2.617
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: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -129.629242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.629242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.629242 (E_RNA)
where:
Base-Base interactions energy: -54.659
where: short stacking energy: -54.650
Base-Backbone interact. energy: -0.115
local terms energy: -74.855809
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -12.819
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: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -118.583766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.583766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.583766 (E_RNA)
where:
Base-Base interactions energy: -37.865
where: short stacking energy: -37.865
Base-Backbone interact. energy: -0.172
local terms energy: -80.546940
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -22.014
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -12.750
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: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -115.167791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.167791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.167791 (E_RNA)
where:
Base-Base interactions energy: -53.652
where: short stacking energy: -44.826
Base-Backbone interact. energy: -1.098
local terms energy: -60.418374
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -104.928626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.928626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.928626 (E_RNA)
where:
Base-Base interactions energy: -37.167
where: short stacking energy: -29.236
Base-Backbone interact. energy: -0.338
local terms energy: -67.423735
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -17.924
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: 1, replica: 9
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -336.994031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.994031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.994031 (E_RNA)
where:
Base-Base interactions energy: -230.972
where: short stacking energy: -99.157
Base-Backbone interact. energy: -1.250
local terms energy: -104.771692
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -24.258
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -27.926
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: 343
Temperature: 0.950000
Total energy: -316.757223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.757223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.757223 (E_RNA)
where:
Base-Base interactions energy: -209.019
where: short stacking energy: -98.555
Base-Backbone interact. energy: -0.152
local terms energy: -107.586218
where:
bonds (distance) C4'-P energy: -22.690
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -22.565
flat angles P-C4'-P energy: -16.992
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: 10
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -313.626934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.626934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.626934 (E_RNA)
where:
Base-Base interactions energy: -220.349
where: short stacking energy: -91.591
Base-Backbone interact. energy: -0.283
local terms energy: -92.994477
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -21.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -253.306245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.306245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.306245 (E_RNA)
where:
Base-Base interactions energy: -157.905
where: short stacking energy: -75.741
Base-Backbone interact. energy: -0.264
local terms energy: -95.136911
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -24.804
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: 5, replica: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -232.561215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.561215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.561215 (E_RNA)
where:
Base-Base interactions energy: -139.335
where: short stacking energy: -78.092
Base-Backbone interact. energy: -0.708
local terms energy: -92.518564
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -22.863
flat angles P-C4'-P energy: -14.746
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: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -178.222500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.222500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.222500 (E_RNA)
where:
Base-Base interactions energy: -105.217
where: short stacking energy: -48.895
Base-Backbone interact. energy: -0.064
local terms energy: -72.941092
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -120.722701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.722701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.722701 (E_RNA)
where:
Base-Base interactions energy: -50.272
where: short stacking energy: -39.506
Base-Backbone interact. energy: 0.060
local terms energy: -70.510289
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -15.199
tors. eta vs tors. theta energy: -2.530
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: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -109.189796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.189796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.189796 (E_RNA)
where:
Base-Base interactions energy: -38.802
where: short stacking energy: -35.194
Base-Backbone interact. energy: 0.932
local terms energy: -71.320157
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -20.585
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -114.037095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.037095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.037095 (E_RNA)
where:
Base-Base interactions energy: -44.717
where: short stacking energy: -44.717
Base-Backbone interact. energy: -0.181
local terms energy: -69.138640
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -19.654
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -136.367405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.367405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.367405 (E_RNA)
where:
Base-Base interactions energy: -77.513
where: short stacking energy: -36.842
Base-Backbone interact. energy: -0.368
local terms energy: -58.486263
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -331.822756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.822756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.822756 (E_RNA)
where:
Base-Base interactions energy: -212.128
where: short stacking energy: -91.783
Base-Backbone interact. energy: -1.101
local terms energy: -118.593693
where:
bonds (distance) C4'-P energy: -24.578
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -25.673
flat angles P-C4'-P energy: -19.709
tors. eta vs tors. theta energy: -24.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -317.418133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.418133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.418133 (E_RNA)
where:
Base-Base interactions energy: -214.885
where: short stacking energy: -93.324
Base-Backbone interact. energy: -0.197
local terms energy: -102.336038
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -22.487
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: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -320.740789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.740789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.740789 (E_RNA)
where:
Base-Base interactions energy: -225.594
where: short stacking energy: -95.497
Base-Backbone interact. energy: -0.200
local terms energy: -94.946787
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -25.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -244.103392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.103392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.103392 (E_RNA)
where:
Base-Base interactions energy: -156.884
where: short stacking energy: -70.560
Base-Backbone interact. energy: -1.158
local terms energy: -86.060928
where:
bonds (distance) C4'-P energy: -20.206
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -22.389
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -18.003
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: 6
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -207.786509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.786509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.786509 (E_RNA)
where:
Base-Base interactions energy: -116.549
where: short stacking energy: -69.683
Base-Backbone interact. energy: 0.038
local terms energy: -91.275449
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -227.848122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.848122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.848122 (E_RNA)
where:
Base-Base interactions energy: -135.509
where: short stacking energy: -78.808
Base-Backbone interact. energy: 0.570
local terms energy: -92.909042
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -23.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -139.479474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.479474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.479474 (E_RNA)
where:
Base-Base interactions energy: -62.544
where: short stacking energy: -62.544
Base-Backbone interact. energy: -0.106
local terms energy: -76.829390
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -16.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -115.447957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.447957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.447957 (E_RNA)
where:
Base-Base interactions energy: -44.213
where: short stacking energy: -34.906
Base-Backbone interact. energy: -0.301
local terms energy: -70.933473
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -19.007
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -0.746
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: 3
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -108.215437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.215437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.215437 (E_RNA)
where:
Base-Base interactions energy: -46.292
where: short stacking energy: -40.644
Base-Backbone interact. energy: -0.196
local terms energy: -61.727487
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -21.885
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -6.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -106.344797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.344797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.344797 (E_RNA)
where:
Base-Base interactions energy: -38.729
where: short stacking energy: -38.729
Base-Backbone interact. energy: -0.139
local terms energy: -67.475992
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -331.489826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.489826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.489826 (E_RNA)
where:
Base-Base interactions energy: -227.301
where: short stacking energy: -99.799
Base-Backbone interact. energy: -0.931
local terms energy: -103.258392
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -24.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -315.192104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.192104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.192104 (E_RNA)
where:
Base-Base interactions energy: -216.048
where: short stacking energy: -88.674
Base-Backbone interact. energy: -0.666
local terms energy: -98.479014
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -22.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -304.723239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.723239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.723239 (E_RNA)
where:
Base-Base interactions energy: -208.270
where: short stacking energy: -95.156
Base-Backbone interact. energy: 0.360
local terms energy: -96.813841
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -27.005
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: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -237.636808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.636808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.636808 (E_RNA)
where:
Base-Base interactions energy: -156.413
where: short stacking energy: -67.182
Base-Backbone interact. energy: -0.592
local terms energy: -80.631707
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -17.969
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -17.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -206.466540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.466540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.466540 (E_RNA)
where:
Base-Base interactions energy: -132.214
where: short stacking energy: -60.980
Base-Backbone interact. energy: -0.928
local terms energy: -73.324358
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -188.947899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.947899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.947899 (E_RNA)
where:
Base-Base interactions energy: -102.100
where: short stacking energy: -60.510
Base-Backbone interact. energy: -0.108
local terms energy: -86.740040
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -20.754
flat angles C4'-P-C4' energy: -22.496
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -126.435544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.435544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.435544 (E_RNA)
where:
Base-Base interactions energy: -54.787
where: short stacking energy: -46.601
Base-Backbone interact. energy: -0.111
local terms energy: -71.537304
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -9.304
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: 8, replica: 3
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -114.292834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.292834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.292834 (E_RNA)
where:
Base-Base interactions energy: -45.990
where: short stacking energy: -42.485
Base-Backbone interact. energy: -0.368
local terms energy: -67.934578
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -109.052505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.052505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.052505 (E_RNA)
where:
Base-Base interactions energy: -43.981
where: short stacking energy: -42.733
Base-Backbone interact. energy: -0.291
local terms energy: -64.780066
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -11.967
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: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -100.144170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.144170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.144170 (E_RNA)
where:
Base-Base interactions energy: -37.698
where: short stacking energy: -36.987
Base-Backbone interact. energy: -0.146
local terms energy: -62.300304
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -23.898
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -3.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -331.241340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.241340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.241340 (E_RNA)
where:
Base-Base interactions energy: -232.133
where: short stacking energy: -96.533
Base-Backbone interact. energy: -0.197
local terms energy: -98.911389
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -26.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -311.655218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.655218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.655218 (E_RNA)
where:
Base-Base interactions energy: -205.895
where: short stacking energy: -90.784
Base-Backbone interact. energy: -0.222
local terms energy: -105.537654
where:
bonds (distance) C4'-P energy: -20.357
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -24.665
flat angles P-C4'-P energy: -16.434
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: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -300.129943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.129943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.129943 (E_RNA)
where:
Base-Base interactions energy: -207.585
where: short stacking energy: -98.392
Base-Backbone interact. energy: -0.222
local terms energy: -92.322906
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -20.037
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -30.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -270.066512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.066512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.066512 (E_RNA)
where:
Base-Base interactions energy: -163.630
where: short stacking energy: -74.199
Base-Backbone interact. energy: -0.224
local terms energy: -106.212464
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -25.155
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: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -223.095408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.095408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.095408 (E_RNA)
where:
Base-Base interactions energy: -134.492
where: short stacking energy: -60.805
Base-Backbone interact. energy: -0.721
local terms energy: -87.881693
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -22.797
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -13.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -206.368587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.368587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.368587 (E_RNA)
where:
Base-Base interactions energy: -131.823
where: short stacking energy: -60.845
Base-Backbone interact. energy: -0.371
local terms energy: -74.174875
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -130.370213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.370213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.370213 (E_RNA)
where:
Base-Base interactions energy: -48.192
where: short stacking energy: -38.817
Base-Backbone interact. energy: -0.382
local terms energy: -81.796582
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -6.243
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: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -107.471183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.471183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.471183 (E_RNA)
where:
Base-Base interactions energy: -44.077
where: short stacking energy: -25.379
Base-Backbone interact. energy: -0.197
local terms energy: -63.197671
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: 2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -120.808846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.808846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.808846 (E_RNA)
where:
Base-Base interactions energy: -47.245
where: short stacking energy: -42.373
Base-Backbone interact. energy: -0.092
local terms energy: -73.472233
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -21.030
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -99.008585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.008585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.008585 (E_RNA)
where:
Base-Base interactions energy: -39.681
where: short stacking energy: -34.812
Base-Backbone interact. energy: -0.430
local terms energy: -58.896899
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: 2.194
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: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -327.398568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.398568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.398568 (E_RNA)
where:
Base-Base interactions energy: -229.381
where: short stacking energy: -92.437
Base-Backbone interact. energy: -0.532
local terms energy: -97.485615
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -23.215
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -25.336
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: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -313.673618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.673618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.673618 (E_RNA)
where:
Base-Base interactions energy: -217.467
where: short stacking energy: -94.953
Base-Backbone interact. energy: -0.226
local terms energy: -95.980812
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -22.319
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -24.194
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: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -299.167104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.167104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.167104 (E_RNA)
where:
Base-Base interactions energy: -193.101
where: short stacking energy: -83.391
Base-Backbone interact. energy: -0.269
local terms energy: -105.797571
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -23.912
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -17.505
tors. eta vs tors. theta energy: -23.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -264.087297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.087297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.087297 (E_RNA)
where:
Base-Base interactions energy: -179.829
where: short stacking energy: -70.691
Base-Backbone interact. energy: -0.961
local terms energy: -83.297111
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -203.862982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.862982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.862982 (E_RNA)
where:
Base-Base interactions energy: -115.130
where: short stacking energy: -63.352
Base-Backbone interact. energy: -0.158
local terms energy: -88.575377
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -193.583726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.583726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.583726 (E_RNA)
where:
Base-Base interactions energy: -109.174
where: short stacking energy: -54.074
Base-Backbone interact. energy: -0.159
local terms energy: -84.250182
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -121.885511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.885511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.885511 (E_RNA)
where:
Base-Base interactions energy: -42.941
where: short stacking energy: -40.189
Base-Backbone interact. energy: -0.012
local terms energy: -78.932289
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -11.800
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: 8, replica: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -116.800382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.800382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.800382 (E_RNA)
where:
Base-Base interactions energy: -38.911
where: short stacking energy: -38.911
Base-Backbone interact. energy: -0.209
local terms energy: -77.680951
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -11.808
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: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -126.873063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.873063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.873063 (E_RNA)
where:
Base-Base interactions energy: -49.233
where: short stacking energy: -38.852
Base-Backbone interact. energy: -0.241
local terms energy: -77.398556
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -21.839
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -3.700
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: 10, replica: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -97.415839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.415839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.415839 (E_RNA)
where:
Base-Base interactions energy: -43.328
where: short stacking energy: -34.835
Base-Backbone interact. energy: -0.187
local terms energy: -53.900188
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: 2.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -321.146824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.146824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.146824 (E_RNA)
where:
Base-Base interactions energy: -214.142
where: short stacking energy: -100.678
Base-Backbone interact. energy: -0.222
local terms energy: -106.782678
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -24.652
flat angles P-C4'-P energy: -12.944
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: 2, replica: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -324.314805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.314805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.314805 (E_RNA)
where:
Base-Base interactions energy: -207.052
where: short stacking energy: -96.593
Base-Backbone interact. energy: -0.952
local terms energy: -116.310937
where:
bonds (distance) C4'-P energy: -23.287
bonds (distance) P-C4' energy: -22.050
flat angles C4'-P-C4' energy: -23.918
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -30.613
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: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -306.650383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.650383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.650383 (E_RNA)
where:
Base-Base interactions energy: -204.522
where: short stacking energy: -97.227
Base-Backbone interact. energy: -0.095
local terms energy: -102.033716
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -27.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -260.405683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.405683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.405683 (E_RNA)
where:
Base-Base interactions energy: -166.508
where: short stacking energy: -70.432
Base-Backbone interact. energy: -0.303
local terms energy: -93.595035
where:
bonds (distance) C4'-P energy: -24.235
bonds (distance) P-C4' energy: -19.637
flat angles C4'-P-C4' energy: -22.184
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -198.606625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.606625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.606625 (E_RNA)
where:
Base-Base interactions energy: -109.609
where: short stacking energy: -67.408
Base-Backbone interact. energy: -0.302
local terms energy: -88.695386
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -15.805
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: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -190.235362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.235362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.235362 (E_RNA)
where:
Base-Base interactions energy: -111.452
where: short stacking energy: -66.181
Base-Backbone interact. energy: -0.243
local terms energy: -78.540668
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -10.238
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: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -136.246289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.246289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.246289 (E_RNA)
where:
Base-Base interactions energy: -76.090
where: short stacking energy: -62.903
Base-Backbone interact. energy: -0.495
local terms energy: -59.660789
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -8.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -125.823680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.823680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.823680 (E_RNA)
where:
Base-Base interactions energy: -57.072
where: short stacking energy: -52.296
Base-Backbone interact. energy: -0.469
local terms energy: -68.282565
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -20.001
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -108.115903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.115903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.115903 (E_RNA)
where:
Base-Base interactions energy: -43.042
where: short stacking energy: -40.968
Base-Backbone interact. energy: -0.347
local terms energy: -64.726706
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -3.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -109.398071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.398071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.398071 (E_RNA)
where:
Base-Base interactions energy: -50.871
where: short stacking energy: -36.882
Base-Backbone interact. energy: 1.596
local terms energy: -60.122796
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -23.864
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -7.709
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: 1, replica: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -322.667539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.667539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.667539 (E_RNA)
where:
Base-Base interactions energy: -219.357
where: short stacking energy: -88.421
Base-Backbone interact. energy: 0.325
local terms energy: -103.635503
where:
bonds (distance) C4'-P energy: -21.509
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -18.163
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: 2, replica: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -323.240486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.240486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.240486 (E_RNA)
where:
Base-Base interactions energy: -216.483
where: short stacking energy: -98.177
Base-Backbone interact. energy: 0.823
local terms energy: -107.580070
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -29.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -310.443437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.443437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.443437 (E_RNA)
where:
Base-Base interactions energy: -205.611
where: short stacking energy: -97.685
Base-Backbone interact. energy: -0.177
local terms energy: -104.655444
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -23.561
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -26.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -247.226735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.226735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.226735 (E_RNA)
where:
Base-Base interactions energy: -146.716
where: short stacking energy: -84.001
Base-Backbone interact. energy: -1.089
local terms energy: -99.421809
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -19.931
flat angles C4'-P-C4' energy: -22.636
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -24.515
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: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -236.120214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.120214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.120214 (E_RNA)
where:
Base-Base interactions energy: -140.899
where: short stacking energy: -82.504
Base-Backbone interact. energy: -0.074
local terms energy: -95.148194
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -19.944
flat angles C4'-P-C4' energy: -25.601
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -24.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -144.534936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.534936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.534936 (E_RNA)
where:
Base-Base interactions energy: -62.859
where: short stacking energy: -54.122
Base-Backbone interact. energy: 0.310
local terms energy: -81.985820
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -22.910
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -13.468
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: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -154.623487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.623487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.623487 (E_RNA)
where:
Base-Base interactions energy: -76.887
where: short stacking energy: -46.745
Base-Backbone interact. energy: 0.420
local terms energy: -78.157004
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -141.719953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.719953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.719953 (E_RNA)
where:
Base-Base interactions energy: -80.505
where: short stacking energy: -54.725
Base-Backbone interact. energy: -0.372
local terms energy: -60.843563
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -112.049430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.049430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.049430 (E_RNA)
where:
Base-Base interactions energy: -39.201
where: short stacking energy: -39.201
Base-Backbone interact. energy: -0.096
local terms energy: -72.752369
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -11.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -117.304464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.304464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.304464 (E_RNA)
where:
Base-Base interactions energy: -46.768
where: short stacking energy: -34.486
Base-Backbone interact. energy: -0.168
local terms energy: -70.367918
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -331.136105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.136105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.136105 (E_RNA)
where:
Base-Base interactions energy: -227.190
where: short stacking energy: -94.921
Base-Backbone interact. energy: -0.189
local terms energy: -103.757806
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -29.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -324.208723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.208723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.208723 (E_RNA)
where:
Base-Base interactions energy: -220.188
where: short stacking energy: -98.213
Base-Backbone interact. energy: -0.205
local terms energy: -103.815446
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -21.541
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: -30.602
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: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -303.550191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.550191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.550191 (E_RNA)
where:
Base-Base interactions energy: -203.116
where: short stacking energy: -78.554
Base-Backbone interact. energy: -0.149
local terms energy: -100.285095
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -25.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -235.876622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.876622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.876622 (E_RNA)
where:
Base-Base interactions energy: -146.181
where: short stacking energy: -64.074
Base-Backbone interact. energy: 0.834
local terms energy: -90.529539
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -20.962
flat angles P-C4'-P energy: -17.033
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: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -233.268009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.268009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.268009 (E_RNA)
where:
Base-Base interactions energy: -143.702
where: short stacking energy: -76.901
Base-Backbone interact. energy: -0.029
local terms energy: -89.537655
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -15.051
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -132.180073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.180073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.180073 (E_RNA)
where:
Base-Base interactions energy: -51.760
where: short stacking energy: -51.760
Base-Backbone interact. energy: -2.146
local terms energy: -78.273913
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -24.202
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -156.648320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.648320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.648320 (E_RNA)
where:
Base-Base interactions energy: -79.668
where: short stacking energy: -45.743
Base-Backbone interact. energy: -1.158
local terms energy: -75.822087
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -145.462737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.462737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.462737 (E_RNA)
where:
Base-Base interactions energy: -81.316
where: short stacking energy: -44.269
Base-Backbone interact. energy: -2.512
local terms energy: -61.635245
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -3.898
tors. eta vs tors. theta energy: -6.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -108.288859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.288859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.288859 (E_RNA)
where:
Base-Base interactions energy: -51.451
where: short stacking energy: -42.393
Base-Backbone interact. energy: -0.237
local terms energy: -56.600871
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -9.999
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: 10, replica: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -102.853511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.853511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.853511 (E_RNA)
where:
Base-Base interactions energy: -34.389
where: short stacking energy: -32.110
Base-Backbone interact. energy: -0.082
local terms energy: -68.383169
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -7.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -329.304175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.304175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.304175 (E_RNA)
where:
Base-Base interactions energy: -224.372
where: short stacking energy: -97.181
Base-Backbone interact. energy: -0.210
local terms energy: -104.722208
where:
bonds (distance) C4'-P energy: -22.959
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -25.239
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: 2, replica: 10
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -321.199681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.199681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.199681 (E_RNA)
where:
Base-Base interactions energy: -212.122
where: short stacking energy: -91.320
Base-Backbone interact. energy: -0.272
local terms energy: -108.805903
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -25.104
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -17.983
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: 3, replica: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -309.610384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.610384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.610384 (E_RNA)
where:
Base-Base interactions energy: -214.982
where: short stacking energy: -88.887
Base-Backbone interact. energy: -0.208
local terms energy: -94.420712
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -21.069
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -25.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -252.233884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.233884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.233884 (E_RNA)
where:
Base-Base interactions energy: -151.647
where: short stacking energy: -86.031
Base-Backbone interact. energy: -0.020
local terms energy: -100.566890
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -21.854
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -26.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -211.050131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.050131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.050131 (E_RNA)
where:
Base-Base interactions energy: -133.759
where: short stacking energy: -64.064
Base-Backbone interact. energy: -0.101
local terms energy: -77.189820
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -3.741
tors. eta vs tors. theta energy: -15.891
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: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -144.284398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.284398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.284398 (E_RNA)
where:
Base-Base interactions energy: -75.283
where: short stacking energy: -43.353
Base-Backbone interact. energy: 1.193
local terms energy: -70.194154
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -134.311444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.311444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.311444 (E_RNA)
where:
Base-Base interactions energy: -58.989
where: short stacking energy: -56.658
Base-Backbone interact. energy: 1.619
local terms energy: -76.941042
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -8.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -115.672887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.672887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.672887 (E_RNA)
where:
Base-Base interactions energy: -44.810
where: short stacking energy: -44.810
Base-Backbone interact. energy: -1.019
local terms energy: -69.843808
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -21.753
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -4.373
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: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -108.733545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.733545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.733545 (E_RNA)
where:
Base-Base interactions energy: -44.597
where: short stacking energy: -43.125
Base-Backbone interact. energy: -0.323
local terms energy: -63.813687
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -19.202
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -103.692541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.692541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.692541 (E_RNA)
where:
Base-Base interactions energy: -34.125
where: short stacking energy: -19.424
Base-Backbone interact. energy: -0.410
local terms energy: -69.157261
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -332.596568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.596568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.596568 (E_RNA)
where:
Base-Base interactions energy: -226.311
where: short stacking energy: -104.267
Base-Backbone interact. energy: -0.186
local terms energy: -106.099070
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -28.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -319.937459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.937459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.937459 (E_RNA)
where:
Base-Base interactions energy: -212.281
where: short stacking energy: -92.803
Base-Backbone interact. energy: -0.835
local terms energy: -106.822067
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -23.719
flat angles P-C4'-P energy: -18.456
tors. eta vs tors. theta energy: -24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -302.256717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.256717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.256717 (E_RNA)
where:
Base-Base interactions energy: -209.805
where: short stacking energy: -86.084
Base-Backbone interact. energy: -0.207
local terms energy: -92.244414
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -26.185
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -22.638
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: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -233.924989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.924989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.924989 (E_RNA)
where:
Base-Base interactions energy: -132.938
where: short stacking energy: -75.754
Base-Backbone interact. energy: -0.192
local terms energy: -100.794956
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -24.662
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: 352
Temperature: 1.100000
Total energy: -206.270402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.270402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.270402 (E_RNA)
where:
Base-Base interactions energy: -115.821
where: short stacking energy: -75.054
Base-Backbone interact. energy: -0.820
local terms energy: -89.629417
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -23.355
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: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -174.546730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.546730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.546730 (E_RNA)
where:
Base-Base interactions energy: -102.048
where: short stacking energy: -61.495
Base-Backbone interact. energy: -0.677
local terms energy: -71.821570
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -123.528310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.528310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.528310 (E_RNA)
where:
Base-Base interactions energy: -45.739
where: short stacking energy: -38.912
Base-Backbone interact. energy: -0.018
local terms energy: -77.772006
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -116.088463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.088463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.088463 (E_RNA)
where:
Base-Base interactions energy: -44.007
where: short stacking energy: -35.592
Base-Backbone interact. energy: -0.738
local terms energy: -71.343875
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: 0.476
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: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -108.657933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.657933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.657933 (E_RNA)
where:
Base-Base interactions energy: -43.411
where: short stacking energy: -41.310
Base-Backbone interact. energy: -0.859
local terms energy: -64.388065
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -96.101727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.101727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.101727 (E_RNA)
where:
Base-Base interactions energy: -43.263
where: short stacking energy: -42.598
Base-Backbone interact. energy: 0.770
local terms energy: -53.608854
where:
bonds (distance) C4'-P energy: -8.428
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -329.112784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.112784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.112784 (E_RNA)
where:
Base-Base interactions energy: -225.502
where: short stacking energy: -101.167
Base-Backbone interact. energy: -0.881
local terms energy: -102.730287
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: -29.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -320.581378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.581378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.581378 (E_RNA)
where:
Base-Base interactions energy: -212.237
where: short stacking energy: -95.327
Base-Backbone interact. energy: -1.018
local terms energy: -107.326177
where:
bonds (distance) C4'-P energy: -19.294
bonds (distance) P-C4' energy: -23.430
flat angles C4'-P-C4' energy: -24.740
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -27.104
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: 353
Temperature: 1.000000
Total energy: -301.684438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.684438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.684438 (E_RNA)
where:
Base-Base interactions energy: -197.212
where: short stacking energy: -90.364
Base-Backbone interact. energy: -0.782
local terms energy: -103.690150
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -22.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -234.864313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.864313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.864313 (E_RNA)
where:
Base-Base interactions energy: -129.410
where: short stacking energy: -81.416
Base-Backbone interact. energy: -0.039
local terms energy: -105.415381
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -23.681
flat angles C4'-P-C4' energy: -21.231
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -232.713936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.713936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.713936 (E_RNA)
where:
Base-Base interactions energy: -131.635
where: short stacking energy: -77.165
Base-Backbone interact. energy: -1.205
local terms energy: -99.873440
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -21.576
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -21.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -130.929255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.929255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.929255 (E_RNA)
where:
Base-Base interactions energy: -58.418
where: short stacking energy: -50.943
Base-Backbone interact. energy: -0.065
local terms energy: -72.446459
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -14.095
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: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -165.664950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.664950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.664950 (E_RNA)
where:
Base-Base interactions energy: -85.066
where: short stacking energy: -50.197
Base-Backbone interact. energy: 0.834
local terms energy: -81.432951
where:
bonds (distance) C4'-P energy: -19.290
bonds (distance) P-C4' energy: -22.008
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -8.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -116.001119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.001119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.001119 (E_RNA)
where:
Base-Base interactions energy: -37.955
where: short stacking energy: -32.780
Base-Backbone interact. energy: 0.789
local terms energy: -78.835628
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -8.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -126.221417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.221417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.221417 (E_RNA)
where:
Base-Base interactions energy: -52.816
where: short stacking energy: -52.816
Base-Backbone interact. energy: -0.140
local terms energy: -73.265290
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -100.234524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.234524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.234524 (E_RNA)
where:
Base-Base interactions energy: -34.389
where: short stacking energy: -34.389
Base-Backbone interact. energy: -0.070
local terms energy: -65.775702
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -20.397
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -10.238
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)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -330.330855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.330855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.330855 (E_RNA)
where:
Base-Base interactions energy: -224.753
where: short stacking energy: -97.349
Base-Backbone interact. energy: -0.821
local terms energy: -104.757332
where:
bonds (distance) C4'-P energy: -20.404
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -19.960
tors. eta vs tors. theta energy: -22.758
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: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -318.881642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.881642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.881642 (E_RNA)
where:
Base-Base interactions energy: -215.256
where: short stacking energy: -96.799
Base-Backbone interact. energy: -0.244
local terms energy: -103.382196
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -22.642
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -11.362
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: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -294.470496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.470496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.470496 (E_RNA)
where:
Base-Base interactions energy: -192.464
where: short stacking energy: -75.603
Base-Backbone interact. energy: -0.128
local terms energy: -101.879227
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -22.530
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -15.530
tors. eta vs tors. theta energy: -18.444
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: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -239.081699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.081699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.081699 (E_RNA)
where:
Base-Base interactions energy: -146.372
where: short stacking energy: -88.591
Base-Backbone interact. energy: -0.117
local terms energy: -92.592389
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -23.045
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -13.202
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: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -229.735746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.735746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.735746 (E_RNA)
where:
Base-Base interactions energy: -134.350
where: short stacking energy: -72.201
Base-Backbone interact. energy: 0.656
local terms energy: -96.040908
where:
bonds (distance) C4'-P energy: -20.703
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -18.288
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: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -133.323451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.323451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.323451 (E_RNA)
where:
Base-Base interactions energy: -59.813
where: short stacking energy: -48.488
Base-Backbone interact. energy: -0.649
local terms energy: -72.861438
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -150.477528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.477528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.477528 (E_RNA)
where:
Base-Base interactions energy: -75.555
where: short stacking energy: -44.164
Base-Backbone interact. energy: -0.163
local terms energy: -74.759597
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -7.466
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: 8, replica: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -115.536810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.536810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.536810 (E_RNA)
where:
Base-Base interactions energy: -45.400
where: short stacking energy: -41.292
Base-Backbone interact. energy: -0.317
local terms energy: -69.819136
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -114.932086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.932086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.932086 (E_RNA)
where:
Base-Base interactions energy: -45.496
where: short stacking energy: -33.358
Base-Backbone interact. energy: -0.196
local terms energy: -69.239454
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -15.289
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: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -107.323822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.323822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.323822 (E_RNA)
where:
Base-Base interactions energy: -37.268
where: short stacking energy: -37.268
Base-Backbone interact. energy: -0.091
local terms energy: -69.964967
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -10.144
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: 1, replica: 9
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -332.615521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.615521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.615521 (E_RNA)
where:
Base-Base interactions energy: -226.225
where: short stacking energy: -99.463
Base-Backbone interact. energy: -0.401
local terms energy: -105.989303
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -27.470
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: 355
Temperature: 0.950000
Total energy: -309.956385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.956385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.956385 (E_RNA)
where:
Base-Base interactions energy: -212.931
where: short stacking energy: -90.658
Base-Backbone interact. energy: -0.986
local terms energy: -96.040214
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -23.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -296.712687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.712687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.712687 (E_RNA)
where:
Base-Base interactions energy: -203.276
where: short stacking energy: -91.188
Base-Backbone interact. energy: -1.417
local terms energy: -92.020163
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -13.104
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: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -235.926107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.926107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.926107 (E_RNA)
where:
Base-Base interactions energy: -150.583
where: short stacking energy: -68.851
Base-Backbone interact. energy: -0.231
local terms energy: -85.112091
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -13.458
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: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -224.644455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.644455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.644455 (E_RNA)
where:
Base-Base interactions energy: -131.169
where: short stacking energy: -71.538
Base-Backbone interact. energy: -0.219
local terms energy: -93.255973
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -20.805
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -20.577
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: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -118.574829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.574829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.574829 (E_RNA)
where:
Base-Base interactions energy: -54.712
where: short stacking energy: -52.389
Base-Backbone interact. energy: -0.250
local terms energy: -63.612852
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -0.248
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -160.305693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.305693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.305693 (E_RNA)
where:
Base-Base interactions energy: -77.372
where: short stacking energy: -51.586
Base-Backbone interact. energy: -1.975
local terms energy: -80.958828
where:
bonds (distance) C4'-P energy: -19.215
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -13.249
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: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -125.053236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.053236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.053236 (E_RNA)
where:
Base-Base interactions energy: -56.156
where: short stacking energy: -47.656
Base-Backbone interact. energy: -0.265
local terms energy: -68.632071
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -96.924115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.924115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.924115 (E_RNA)
where:
Base-Base interactions energy: -32.274
where: short stacking energy: -32.009
Base-Backbone interact. energy: -0.707
local terms energy: -63.942762
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: 2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -89.393602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.393602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.393602 (E_RNA)
where:
Base-Base interactions energy: -33.343
where: short stacking energy: -24.139
Base-Backbone interact. energy: 0.723
local terms energy: -56.773875
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: 4.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -324.981184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.981184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.981184 (E_RNA)
where:
Base-Base interactions energy: -223.940
where: short stacking energy: -104.534
Base-Backbone interact. energy: -0.884
local terms energy: -100.157133
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -319.894914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.894914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.894914 (E_RNA)
where:
Base-Base interactions energy: -216.633
where: short stacking energy: -95.632
Base-Backbone interact. energy: 0.271
local terms energy: -103.532761
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -24.970
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -24.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -286.732295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.732295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.732295 (E_RNA)
where:
Base-Base interactions energy: -191.499
where: short stacking energy: -91.973
Base-Backbone interact. energy: -0.864
local terms energy: -94.369230
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -13.976
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: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -237.245356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.245356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.245356 (E_RNA)
where:
Base-Base interactions energy: -151.429
where: short stacking energy: -79.085
Base-Backbone interact. energy: -0.412
local terms energy: -85.403710
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -15.975
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: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -231.310496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.310496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.310496 (E_RNA)
where:
Base-Base interactions energy: -135.649
where: short stacking energy: -71.948
Base-Backbone interact. energy: -1.033
local terms energy: -94.628791
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -136.502491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.502491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.502491 (E_RNA)
where:
Base-Base interactions energy: -55.495
where: short stacking energy: -50.316
Base-Backbone interact. energy: -0.590
local terms energy: -80.418131
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -10.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -181.991969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.991969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.991969 (E_RNA)
where:
Base-Base interactions energy: -105.876
where: short stacking energy: -53.387
Base-Backbone interact. energy: -0.273
local terms energy: -75.843515
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -104.663183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.663183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.663183 (E_RNA)
where:
Base-Base interactions energy: -44.320
where: short stacking energy: -44.310
Base-Backbone interact. energy: -0.278
local terms energy: -60.064983
where:
bonds (distance) C4'-P energy: -18.552
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -9.901
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: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -106.309678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.309678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.309678 (E_RNA)
where:
Base-Base interactions energy: -45.394
where: short stacking energy: -44.747
Base-Backbone interact. energy: 0.943
local terms energy: -61.858906
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -9.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -102.297064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.297064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.297064 (E_RNA)
where:
Base-Base interactions energy: -34.390
where: short stacking energy: -34.458
Base-Backbone interact. energy: -0.371
local terms energy: -67.535174
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -11.009
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: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -328.216473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.216473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.216473 (E_RNA)
where:
Base-Base interactions energy: -226.560
where: short stacking energy: -92.011
Base-Backbone interact. energy: -0.193
local terms energy: -101.463392
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -22.061
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -24.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -308.515751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.515751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.515751 (E_RNA)
where:
Base-Base interactions energy: -204.555
where: short stacking energy: -90.784
Base-Backbone interact. energy: -0.211
local terms energy: -103.749204
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -24.046
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: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -290.554618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.554618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.554618 (E_RNA)
where:
Base-Base interactions energy: -192.238
where: short stacking energy: -90.969
Base-Backbone interact. energy: 0.146
local terms energy: -98.462969
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -15.124
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: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -237.346490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.346490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.346490 (E_RNA)
where:
Base-Base interactions energy: -149.984
where: short stacking energy: -74.202
Base-Backbone interact. energy: -0.772
local terms energy: -86.589693
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -18.159
flat angles C4'-P-C4' energy: -22.301
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -17.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -235.970432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.970432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.970432 (E_RNA)
where:
Base-Base interactions energy: -151.589
where: short stacking energy: -67.850
Base-Backbone interact. energy: -0.061
local terms energy: -84.320545
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -19.371
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -157.043064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.043064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.043064 (E_RNA)
where:
Base-Base interactions energy: -81.067
where: short stacking energy: -50.134
Base-Backbone interact. energy: -0.812
local terms energy: -75.164353
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -11.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -121.851614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.851614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.851614 (E_RNA)
where:
Base-Base interactions energy: -54.039
where: short stacking energy: -37.905
Base-Backbone interact. energy: -1.341
local terms energy: -66.471242
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -138.128694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.128694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.128694 (E_RNA)
where:
Base-Base interactions energy: -69.447
where: short stacking energy: -51.071
Base-Backbone interact. energy: 0.383
local terms energy: -69.064377
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -11.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -128.045614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.045614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.045614 (E_RNA)
where:
Base-Base interactions energy: -60.046
where: short stacking energy: -44.735
Base-Backbone interact. energy: 1.123
local terms energy: -69.123321
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -10.274
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: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -92.449104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.449104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.449104 (E_RNA)
where:
Base-Base interactions energy: -34.960
where: short stacking energy: -27.104
Base-Backbone interact. energy: -0.368
local terms energy: -57.121405
where:
bonds (distance) C4'-P energy: -17.837
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: 4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -326.920332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.920332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.920332 (E_RNA)
where:
Base-Base interactions energy: -226.006
where: short stacking energy: -105.631
Base-Backbone interact. energy: -0.949
local terms energy: -99.964959
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -21.846
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -27.430
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: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -314.889472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.889472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.889472 (E_RNA)
where:
Base-Base interactions energy: -210.948
where: short stacking energy: -88.560
Base-Backbone interact. energy: -0.136
local terms energy: -103.805763
where:
bonds (distance) C4'-P energy: -24.478
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -24.191
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: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -309.027217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.027217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.027217 (E_RNA)
where:
Base-Base interactions energy: -202.391
where: short stacking energy: -90.616
Base-Backbone interact. energy: -1.095
local terms energy: -105.540651
where:
bonds (distance) C4'-P energy: -22.888
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -26.891
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: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -235.837273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.837273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.837273 (E_RNA)
where:
Base-Base interactions energy: -143.710
where: short stacking energy: -69.923
Base-Backbone interact. energy: -0.331
local terms energy: -91.796478
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -15.493
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: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -231.151052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.151052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.151052 (E_RNA)
where:
Base-Base interactions energy: -145.719
where: short stacking energy: -65.351
Base-Backbone interact. energy: -0.020
local terms energy: -85.411667
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -24.113
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -11.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -171.063928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.063928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.063928 (E_RNA)
where:
Base-Base interactions energy: -104.517
where: short stacking energy: -57.874
Base-Backbone interact. energy: -0.219
local terms energy: -66.327640
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -7.299
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: 7, replica: 2
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -130.647092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.647092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.647092 (E_RNA)
where:
Base-Base interactions energy: -52.317
where: short stacking energy: -51.787
Base-Backbone interact. energy: -0.705
local terms energy: -77.625523
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -19.933
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -10.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -117.012501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.012501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.012501 (E_RNA)
where:
Base-Base interactions energy: -44.044
where: short stacking energy: -38.679
Base-Backbone interact. energy: -0.536
local terms energy: -72.432557
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -6.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -111.998540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.998540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.998540 (E_RNA)
where:
Base-Base interactions energy: -59.414
where: short stacking energy: -42.266
Base-Backbone interact. energy: -0.528
local terms energy: -52.056572
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -0.866
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -97.535012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.535012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.535012 (E_RNA)
where:
Base-Base interactions energy: -36.273
where: short stacking energy: -30.042
Base-Backbone interact. energy: -0.377
local terms energy: -60.884926
where:
bonds (distance) C4'-P energy: -22.117
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: 6.564
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: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -323.052556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.052556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.052556 (E_RNA)
where:
Base-Base interactions energy: -213.216
where: short stacking energy: -97.516
Base-Backbone interact. energy: -0.148
local terms energy: -109.687738
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -18.465
tors. eta vs tors. theta energy: -28.240
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: 359
Temperature: 0.950000
Total energy: -308.590511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.590511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.590511 (E_RNA)
where:
Base-Base interactions energy: -202.320
where: short stacking energy: -94.950
Base-Backbone interact. energy: -0.242
local terms energy: -106.028997
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -24.825
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -24.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -305.989504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.989504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.989504 (E_RNA)
where:
Base-Base interactions energy: -199.891
where: short stacking energy: -94.325
Base-Backbone interact. energy: -0.362
local terms energy: -105.736921
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -24.559
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -27.549
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: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -234.445459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.445459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.445459 (E_RNA)
where:
Base-Base interactions energy: -141.372
where: short stacking energy: -91.131
Base-Backbone interact. energy: -0.380
local terms energy: -92.694108
where:
bonds (distance) C4'-P energy: -21.762
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -20.131
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: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -221.169892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.169892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.169892 (E_RNA)
where:
Base-Base interactions energy: -134.464
where: short stacking energy: -62.061
Base-Backbone interact. energy: 0.277
local terms energy: -86.982588
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -14.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -194.510012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.510012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.510012 (E_RNA)
where:
Base-Base interactions energy: -103.863
where: short stacking energy: -67.585
Base-Backbone interact. energy: -1.367
local terms energy: -89.280570
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -22.666
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -13.337
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: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -129.339050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.339050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.339050 (E_RNA)
where:
Base-Base interactions energy: -54.245
where: short stacking energy: -46.544
Base-Backbone interact. energy: -1.386
local terms energy: -73.707436
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -19.877
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -10.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -123.849678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.849678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.849678 (E_RNA)
where:
Base-Base interactions energy: -49.233
where: short stacking energy: -44.487
Base-Backbone interact. energy: -1.216
local terms energy: -73.400933
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -114.097466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.097466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.097466 (E_RNA)
where:
Base-Base interactions energy: -42.020
where: short stacking energy: -35.971
Base-Backbone interact. energy: -0.307
local terms energy: -71.771083
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -4.004
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: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -116.774048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.774048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.774048 (E_RNA)
where:
Base-Base interactions energy: -53.295
where: short stacking energy: -41.343
Base-Backbone interact. energy: 0.238
local terms energy: -63.716444
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -4.158
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -312.337560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.337560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.337560 (E_RNA)
where:
Base-Base interactions energy: -205.118
where: short stacking energy: -100.165
Base-Backbone interact. energy: -1.332
local terms energy: -105.887008
where:
bonds (distance) C4'-P energy: -21.397
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -28.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -308.035271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.035271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.035271 (E_RNA)
where:
Base-Base interactions energy: -203.368
where: short stacking energy: -103.412
Base-Backbone interact. energy: -0.873
local terms energy: -103.794276
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -22.211
flat angles C4'-P-C4' energy: -25.186
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -27.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -247.294830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.294830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.294830 (E_RNA)
where:
Base-Base interactions energy: -154.099
where: short stacking energy: -78.901
Base-Backbone interact. energy: -0.075
local terms energy: -93.120991
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -7.979
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: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -283.531213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.531213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.531213 (E_RNA)
where:
Base-Base interactions energy: -187.863
where: short stacking energy: -94.117
Base-Backbone interact. energy: -0.144
local terms energy: -95.523989
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -21.358
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: -22.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -219.838982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.838982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.838982 (E_RNA)
where:
Base-Base interactions energy: -135.166
where: short stacking energy: -71.009
Base-Backbone interact. energy: -0.170
local terms energy: -84.503476
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -177.907968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.907968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.907968 (E_RNA)
where:
Base-Base interactions energy: -105.541
where: short stacking energy: -43.782
Base-Backbone interact. energy: -0.606
local terms energy: -71.761078
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -136.421257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.421257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.421257 (E_RNA)
where:
Base-Base interactions energy: -55.015
where: short stacking energy: -54.259
Base-Backbone interact. energy: 0.883
local terms energy: -82.289024
where:
bonds (distance) C4'-P energy: -18.945
bonds (distance) P-C4' energy: -20.016
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -9.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -123.196038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.196038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.196038 (E_RNA)
where:
Base-Base interactions energy: -54.887
where: short stacking energy: -39.145
Base-Backbone interact. energy: -1.293
local terms energy: -67.016495
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -0.449
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: 8
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -124.047129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.047129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.047129 (E_RNA)
where:
Base-Base interactions energy: -61.283
where: short stacking energy: -32.233
Base-Backbone interact. energy: -0.452
local terms energy: -62.312547
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -96.957979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.957979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.957979 (E_RNA)
where:
Base-Base interactions energy: -37.960
where: short stacking energy: -34.191
Base-Backbone interact. energy: -0.358
local terms energy: -58.640146
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -2.851
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -311.005535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.005535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.005535 (E_RNA)
where:
Base-Base interactions energy: -208.755
where: short stacking energy: -82.421
Base-Backbone interact. energy: -0.712
local terms energy: -101.538481
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -22.389
flat angles P-C4'-P energy: -18.100
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: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -275.354375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.354375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.354375 (E_RNA)
where:
Base-Base interactions energy: -167.095
where: short stacking energy: -91.923
Base-Backbone interact. energy: -0.237
local terms energy: -108.022374
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -16.929
tors. eta vs tors. theta energy: -24.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -309.321535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.321535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.321535 (E_RNA)
where:
Base-Base interactions energy: -207.228
where: short stacking energy: -79.805
Base-Backbone interact. energy: -0.617
local terms energy: -101.476096
where:
bonds (distance) C4'-P energy: -19.588
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -21.885
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -26.196
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: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -286.401614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.401614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.401614 (E_RNA)
where:
Base-Base interactions energy: -190.912
where: short stacking energy: -84.066
Base-Backbone interact. energy: -0.612
local terms energy: -94.878039
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -20.131
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -22.852
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: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -226.135065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.135065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.135065 (E_RNA)
where:
Base-Base interactions energy: -143.168
where: short stacking energy: -62.814
Base-Backbone interact. energy: -0.988
local terms energy: -81.978985
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -193.986356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.986356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.986356 (E_RNA)
where:
Base-Base interactions energy: -116.708
where: short stacking energy: -64.768
Base-Backbone interact. energy: -0.584
local terms energy: -76.693759
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -126.377050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.377050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.377050 (E_RNA)
where:
Base-Base interactions energy: -53.742
where: short stacking energy: -45.251
Base-Backbone interact. energy: -0.082
local terms energy: -72.552965
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -9.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -158.597434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.597434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.597434 (E_RNA)
where:
Base-Base interactions energy: -87.733
where: short stacking energy: -61.588
Base-Backbone interact. energy: 1.998
local terms energy: -72.862203
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -12.542
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: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -124.564024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.564024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.564024 (E_RNA)
where:
Base-Base interactions energy: -64.275
where: short stacking energy: -38.522
Base-Backbone interact. energy: 2.843
local terms energy: -63.131589
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -109.786308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.786308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.786308 (E_RNA)
where:
Base-Base interactions energy: -40.567
where: short stacking energy: -39.281
Base-Backbone interact. energy: 0.058
local terms energy: -69.277501
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -7.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -323.371369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.371369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.371369 (E_RNA)
where:
Base-Base interactions energy: -220.517
where: short stacking energy: -104.038
Base-Backbone interact. energy: -0.324
local terms energy: -102.530693
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -22.648
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -25.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -273.509254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.509254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.509254 (E_RNA)
where:
Base-Base interactions energy: -174.310
where: short stacking energy: -91.441
Base-Backbone interact. energy: -1.025
local terms energy: -98.174092
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -22.632
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: -22.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -314.809026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.809026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.809026 (E_RNA)
where:
Base-Base interactions energy: -213.756
where: short stacking energy: -96.049
Base-Backbone interact. energy: -0.621
local terms energy: -100.432335
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -27.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -305.932069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.932069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.932069 (E_RNA)
where:
Base-Base interactions energy: -206.831
where: short stacking energy: -87.273
Base-Backbone interact. energy: 0.884
local terms energy: -99.984512
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -22.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -227.908695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.908695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.908695 (E_RNA)
where:
Base-Base interactions energy: -141.030
where: short stacking energy: -72.868
Base-Backbone interact. energy: -0.735
local terms energy: -86.142989
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -22.851
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: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -211.920139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.920139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.920139 (E_RNA)
where:
Base-Base interactions energy: -130.057
where: short stacking energy: -63.189
Base-Backbone interact. energy: -0.746
local terms energy: -81.116650
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -135.743581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.743581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.743581 (E_RNA)
where:
Base-Base interactions energy: -67.398
where: short stacking energy: -35.347
Base-Backbone interact. energy: -0.554
local terms energy: -67.791525
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -119.263211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.263211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.263211 (E_RNA)
where:
Base-Base interactions energy: -59.238
where: short stacking energy: -39.929
Base-Backbone interact. energy: -0.136
local terms energy: -59.888412
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -115.805249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.805249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.805249 (E_RNA)
where:
Base-Base interactions energy: -43.447
where: short stacking energy: -42.404
Base-Backbone interact. energy: -0.023
local terms energy: -72.335095
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -114.413456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.413456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.413456 (E_RNA)
where:
Base-Base interactions energy: -47.620
where: short stacking energy: -35.444
Base-Backbone interact. energy: 3.160
local terms energy: -69.952787
where:
bonds (distance) C4'-P energy: -18.549
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -327.964401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.964401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.964401 (E_RNA)
where:
Base-Base interactions energy: -225.227
where: short stacking energy: -89.968
Base-Backbone interact. energy: -0.518
local terms energy: -102.219589
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -16.267
tors. eta vs tors. theta energy: -20.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -304.964500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.964500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.964500 (E_RNA)
where:
Base-Base interactions energy: -201.229
where: short stacking energy: -91.613
Base-Backbone interact. energy: -0.625
local terms energy: -103.110528
where:
bonds (distance) C4'-P energy: -22.471
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -16.772
tors. eta vs tors. theta energy: -25.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -263.242898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.242898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.242898 (E_RNA)
where:
Base-Base interactions energy: -158.740
where: short stacking energy: -87.630
Base-Backbone interact. energy: -0.005
local terms energy: -104.497956
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -16.871
tors. eta vs tors. theta energy: -27.494
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: 4, replica: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -292.873543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.873543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.873543 (E_RNA)
where:
Base-Base interactions energy: -192.926
where: short stacking energy: -78.200
Base-Backbone interact. energy: -0.289
local terms energy: -99.657849
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -16.109
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: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -229.831939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.831939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.831939 (E_RNA)
where:
Base-Base interactions energy: -142.622
where: short stacking energy: -73.646
Base-Backbone interact. energy: -0.083
local terms energy: -87.126660
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -22.007
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -19.641
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: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -230.088453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.088453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.088453 (E_RNA)
where:
Base-Base interactions energy: -153.040
where: short stacking energy: -72.610
Base-Backbone interact. energy: -0.689
local terms energy: -76.358760
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -118.047682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.047682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.047682 (E_RNA)
where:
Base-Base interactions energy: -47.356
where: short stacking energy: -41.308
Base-Backbone interact. energy: 1.539
local terms energy: -72.229940
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -23.295
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -4.584
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: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -126.813336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.813336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.813336 (E_RNA)
where:
Base-Base interactions energy: -46.581
where: short stacking energy: -46.043
Base-Backbone interact. energy: -0.205
local terms energy: -80.026655
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -9.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -107.116316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.116316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.116316 (E_RNA)
where:
Base-Base interactions energy: -41.521
where: short stacking energy: -32.971
Base-Backbone interact. energy: -0.595
local terms energy: -65.000063
where:
bonds (distance) C4'-P energy: -19.704
bonds (distance) P-C4' energy: -20.854
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: 0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -103.204803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.204803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.204803 (E_RNA)
where:
Base-Base interactions energy: -37.331
where: short stacking energy: -31.720
Base-Backbone interact. energy: -0.349
local terms energy: -65.524308
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -8.063
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: 1, replica: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -318.359400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.359400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.359400 (E_RNA)
where:
Base-Base interactions energy: -211.161
where: short stacking energy: -96.449
Base-Backbone interact. energy: 0.907
local terms energy: -108.105130
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -24.463
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -24.631
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: 9
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -312.278961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.278961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.278961 (E_RNA)
where:
Base-Base interactions energy: -203.879
where: short stacking energy: -93.359
Base-Backbone interact. energy: 1.477
local terms energy: -109.877050
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -21.427
flat angles C4'-P-C4' energy: -22.826
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -27.207
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: 10
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -308.287977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.287977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.287977 (E_RNA)
where:
Base-Base interactions energy: -204.579
where: short stacking energy: -96.844
Base-Backbone interact. energy: -0.074
local terms energy: -103.634984
where:
bonds (distance) C4'-P energy: -20.961
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -25.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -246.879974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.879974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.879974 (E_RNA)
where:
Base-Base interactions energy: -147.886
where: short stacking energy: -79.036
Base-Backbone interact. energy: -0.029
local terms energy: -98.964726
where:
bonds (distance) C4'-P energy: -21.522
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -22.997
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: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -231.594757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.594757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.594757 (E_RNA)
where:
Base-Base interactions energy: -143.816
where: short stacking energy: -72.548
Base-Backbone interact. energy: 1.309
local terms energy: -89.087620
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -15.902
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: 6, replica: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -220.186511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.186511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.186511 (E_RNA)
where:
Base-Base interactions energy: -133.071
where: short stacking energy: -68.622
Base-Backbone interact. energy: -0.098
local terms energy: -87.017336
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -150.774095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.774095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.774095 (E_RNA)
where:
Base-Base interactions energy: -60.196
where: short stacking energy: -49.997
Base-Backbone interact. energy: -0.996
local terms energy: -89.581642
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -22.659
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -15.784
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: 2
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -111.497671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.497671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.497671 (E_RNA)
where:
Base-Base interactions energy: -40.863
where: short stacking energy: -35.337
Base-Backbone interact. energy: -0.141
local terms energy: -70.493836
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -98.787416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.787416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.787416 (E_RNA)
where:
Base-Base interactions energy: -32.714
where: short stacking energy: -27.391
Base-Backbone interact. energy: -0.236
local terms energy: -65.837621
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -18.997
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: 1.240
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: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -102.487487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.487487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.487487 (E_RNA)
where:
Base-Base interactions energy: -39.598
where: short stacking energy: -35.413
Base-Backbone interact. energy: -0.069
local terms energy: -62.821199
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -9.247
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -7.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -323.428521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.428521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.428521 (E_RNA)
where:
Base-Base interactions energy: -212.861
where: short stacking energy: -93.777
Base-Backbone interact. energy: -0.834
local terms energy: -109.734106
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -25.728
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -26.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -289.543682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.543682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.543682 (E_RNA)
where:
Base-Base interactions energy: -189.477
where: short stacking energy: -94.100
Base-Backbone interact. energy: -0.016
local terms energy: -100.050703
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -24.361
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -23.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -305.122320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.122320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.122320 (E_RNA)
where:
Base-Base interactions energy: -200.954
where: short stacking energy: -83.163
Base-Backbone interact. energy: -0.369
local terms energy: -103.800028
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -23.600
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -26.116
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: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -259.205982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.205982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.205982 (E_RNA)
where:
Base-Base interactions energy: -156.838
where: short stacking energy: -91.604
Base-Backbone interact. energy: -0.295
local terms energy: -102.073181
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -22.661
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: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -243.939884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.939884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.939884 (E_RNA)
where:
Base-Base interactions energy: -164.366
where: short stacking energy: -70.308
Base-Backbone interact. energy: -0.233
local terms energy: -79.340043
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -227.877045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.877045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.877045 (E_RNA)
where:
Base-Base interactions energy: -135.606
where: short stacking energy: -78.166
Base-Backbone interact. energy: -0.043
local terms energy: -92.228363
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -23.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -132.976844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.976844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.976844 (E_RNA)
where:
Base-Base interactions energy: -54.301
where: short stacking energy: -46.356
Base-Backbone interact. energy: -2.177
local terms energy: -76.499057
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -131.965761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.965761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.965761 (E_RNA)
where:
Base-Base interactions energy: -49.930
where: short stacking energy: -46.773
Base-Backbone interact. energy: -0.285
local terms energy: -81.750601
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -4.390
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: 365
Temperature: 1.300000
Total energy: -112.608643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.608643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.608643 (E_RNA)
where:
Base-Base interactions energy: -48.744
where: short stacking energy: -37.437
Base-Backbone interact. energy: 0.679
local terms energy: -64.543643
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -102.512247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.512247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.512247 (E_RNA)
where:
Base-Base interactions energy: -44.357
where: short stacking energy: -28.393
Base-Backbone interact. energy: -0.302
local terms energy: -57.853122
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -327.143496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.143496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.143496 (E_RNA)
where:
Base-Base interactions energy: -218.586
where: short stacking energy: -97.698
Base-Backbone interact. energy: -0.170
local terms energy: -108.387525
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -21.361
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -28.461
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: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -315.401297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.401297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.401297 (E_RNA)
where:
Base-Base interactions energy: -208.996
where: short stacking energy: -92.966
Base-Backbone interact. energy: -0.143
local terms energy: -106.262909
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -23.247
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -25.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -306.301408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.301408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.301408 (E_RNA)
where:
Base-Base interactions energy: -203.332
where: short stacking energy: -86.041
Base-Backbone interact. energy: -0.124
local terms energy: -102.845607
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -21.466
flat angles C4'-P-C4' energy: -23.770
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -19.943
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: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -261.699645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.699645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.699645 (E_RNA)
where:
Base-Base interactions energy: -166.902
where: short stacking energy: -103.064
Base-Backbone interact. energy: -0.999
local terms energy: -93.798409
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -24.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -248.849903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.849903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.849903 (E_RNA)
where:
Base-Base interactions energy: -156.243
where: short stacking energy: -83.015
Base-Backbone interact. energy: -0.311
local terms energy: -92.295449
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -227.281574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.281574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.281574 (E_RNA)
where:
Base-Base interactions energy: -139.554
where: short stacking energy: -65.519
Base-Backbone interact. energy: 1.170
local terms energy: -88.897147
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -15.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -141.439905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.439905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.439905 (E_RNA)
where:
Base-Base interactions energy: -70.219
where: short stacking energy: -54.555
Base-Backbone interact. energy: -0.395
local terms energy: -70.826118
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -128.537410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.537410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.537410 (E_RNA)
where:
Base-Base interactions energy: -49.893
where: short stacking energy: -49.893
Base-Backbone interact. energy: -0.249
local terms energy: -78.395108
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -9.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -107.181144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.181144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.181144 (E_RNA)
where:
Base-Base interactions energy: -39.136
where: short stacking energy: -39.022
Base-Backbone interact. energy: -0.113
local terms energy: -67.931413
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -0.784
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: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -114.199114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.199114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.199114 (E_RNA)
where:
Base-Base interactions energy: -51.357
where: short stacking energy: -47.767
Base-Backbone interact. energy: -0.476
local terms energy: -62.365627
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -319.852831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.852831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.852831 (E_RNA)
where:
Base-Base interactions energy: -223.355
where: short stacking energy: -105.836
Base-Backbone interact. energy: -0.563
local terms energy: -95.934937
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -22.534
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -29.898
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: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -324.516353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.516353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.516353 (E_RNA)
where:
Base-Base interactions energy: -217.451
where: short stacking energy: -91.990
Base-Backbone interact. energy: -0.431
local terms energy: -106.634551
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -15.245
tors. eta vs tors. theta energy: -25.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -280.039444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.039444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.039444 (E_RNA)
where:
Base-Base interactions energy: -186.597
where: short stacking energy: -77.933
Base-Backbone interact. energy: 0.245
local terms energy: -93.687896
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -19.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -240.158813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.158813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.158813 (E_RNA)
where:
Base-Base interactions energy: -136.605
where: short stacking energy: -86.869
Base-Backbone interact. energy: -0.080
local terms energy: -103.473726
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -22.055
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -22.354
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: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -243.054322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.054322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.054322 (E_RNA)
where:
Base-Base interactions energy: -154.127
where: short stacking energy: -76.989
Base-Backbone interact. energy: -0.294
local terms energy: -88.632650
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -20.129
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -242.242712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.242712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.242712 (E_RNA)
where:
Base-Base interactions energy: -155.498
where: short stacking energy: -74.255
Base-Backbone interact. energy: -0.288
local terms energy: -86.456895
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -24.823
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -16.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -115.355221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.355221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.355221 (E_RNA)
where:
Base-Base interactions energy: -41.883
where: short stacking energy: -39.689
Base-Backbone interact. energy: -0.562
local terms energy: -72.910082
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -12.091
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: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -137.551886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.551886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.551886 (E_RNA)
where:
Base-Base interactions energy: -69.580
where: short stacking energy: -48.735
Base-Backbone interact. energy: 0.752
local terms energy: -68.724495
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -6.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -103.660442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.660442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.660442 (E_RNA)
where:
Base-Base interactions energy: -36.230
where: short stacking energy: -34.896
Base-Backbone interact. energy: 2.430
local terms energy: -69.860106
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -5.940
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: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -122.819984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.819984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.819984 (E_RNA)
where:
Base-Base interactions energy: -40.437
where: short stacking energy: -38.577
Base-Backbone interact. energy: -0.073
local terms energy: -82.309860
where:
bonds (distance) C4'-P energy: -21.488
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -7.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -315.188715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.188715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.188715 (E_RNA)
where:
Base-Base interactions energy: -213.883
where: short stacking energy: -87.623
Base-Backbone interact. energy: -0.059
local terms energy: -101.246241
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -24.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -303.234939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.234939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.234939 (E_RNA)
where:
Base-Base interactions energy: -206.659
where: short stacking energy: -85.797
Base-Backbone interact. energy: -0.229
local terms energy: -96.346977
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -8.340
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: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -288.791508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.791508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.791508 (E_RNA)
where:
Base-Base interactions energy: -189.621
where: short stacking energy: -86.281
Base-Backbone interact. energy: 2.779
local terms energy: -101.948578
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -22.633
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -23.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -237.536273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.536273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.536273 (E_RNA)
where:
Base-Base interactions energy: -134.307
where: short stacking energy: -85.272
Base-Backbone interact. energy: -0.005
local terms energy: -103.224913
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -23.068
flat angles P-C4'-P energy: -14.631
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -248.081679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.081679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.081679 (E_RNA)
where:
Base-Base interactions energy: -156.499
where: short stacking energy: -74.529
Base-Backbone interact. energy: -0.566
local terms energy: -91.015972
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -20.408
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: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -251.951610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.951610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.951610 (E_RNA)
where:
Base-Base interactions energy: -155.133
where: short stacking energy: -76.741
Base-Backbone interact. energy: -1.437
local terms energy: -95.381140
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -21.758
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -122.434543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.434543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.434543 (E_RNA)
where:
Base-Base interactions energy: -50.743
where: short stacking energy: -46.936
Base-Backbone interact. energy: 0.286
local terms energy: -71.978308
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -3.786
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: 2
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -126.187638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.187638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.187638 (E_RNA)
where:
Base-Base interactions energy: -47.279
where: short stacking energy: -38.017
Base-Backbone interact. energy: -0.824
local terms energy: -78.084259
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -5.249
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: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -111.793144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.793144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.793144 (E_RNA)
where:
Base-Base interactions energy: -40.068
where: short stacking energy: -36.464
Base-Backbone interact. energy: 1.468
local terms energy: -73.193535
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -111.336344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.336344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.336344 (E_RNA)
where:
Base-Base interactions energy: -50.384
where: short stacking energy: -34.503
Base-Backbone interact. energy: 0.714
local terms energy: -61.666766
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -326.074476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.074476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.074476 (E_RNA)
where:
Base-Base interactions energy: -226.184
where: short stacking energy: -97.512
Base-Backbone interact. energy: -0.176
local terms energy: -99.715074
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -24.285
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: 10
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -317.737830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.737830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.737830 (E_RNA)
where:
Base-Base interactions energy: -209.271
where: short stacking energy: -86.201
Base-Backbone interact. energy: -0.978
local terms energy: -107.489195
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -26.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -289.817758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.817758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.817758 (E_RNA)
where:
Base-Base interactions energy: -191.803
where: short stacking energy: -81.947
Base-Backbone interact. energy: -0.456
local terms energy: -97.558182
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -24.882
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -253.648234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.648234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.648234 (E_RNA)
where:
Base-Base interactions energy: -158.063
where: short stacking energy: -72.530
Base-Backbone interact. energy: -0.278
local terms energy: -95.307637
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -22.447
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -15.477
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: 5, replica: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -229.954798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.954798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.954798 (E_RNA)
where:
Base-Base interactions energy: -143.440
where: short stacking energy: -88.921
Base-Backbone interact. energy: -0.598
local terms energy: -85.916349
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -22.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -205.413481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.413481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.413481 (E_RNA)
where:
Base-Base interactions energy: -125.076
where: short stacking energy: -54.715
Base-Backbone interact. energy: -0.188
local terms energy: -80.149751
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -7.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -127.883259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.883259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.883259 (E_RNA)
where:
Base-Base interactions energy: -51.524
where: short stacking energy: -31.576
Base-Backbone interact. energy: 0.394
local terms energy: -76.753939
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -7.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -109.219405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.219405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.219405 (E_RNA)
where:
Base-Base interactions energy: -41.727
where: short stacking energy: -35.485
Base-Backbone interact. energy: 2.098
local terms energy: -69.591142
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -22.917
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -2.621
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: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -107.951391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.951391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.951391 (E_RNA)
where:
Base-Base interactions energy: -35.210
where: short stacking energy: -32.575
Base-Backbone interact. energy: -1.467
local terms energy: -71.273871
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -23.491
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -2.102
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: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -92.287321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.287321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.287321 (E_RNA)
where:
Base-Base interactions energy: -34.953
where: short stacking energy: -32.774
Base-Backbone interact. energy: 0.127
local terms energy: -57.461623
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -12.359
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: 1, replica: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -311.490656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.490656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.490656 (E_RNA)
where:
Base-Base interactions energy: -207.530
where: short stacking energy: -82.677
Base-Backbone interact. energy: 0.058
local terms energy: -104.018928
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -20.705
flat angles P-C4'-P energy: -16.381
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: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -328.468343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.468343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.468343 (E_RNA)
where:
Base-Base interactions energy: -219.003
where: short stacking energy: -94.340
Base-Backbone interact. energy: 0.450
local terms energy: -109.916029
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -22.669
flat angles C4'-P-C4' energy: -24.062
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -25.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -289.358001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.358001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.358001 (E_RNA)
where:
Base-Base interactions energy: -191.557
where: short stacking energy: -75.095
Base-Backbone interact. energy: -0.407
local terms energy: -97.394051
where:
bonds (distance) C4'-P energy: -23.786
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -248.060756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.060756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.060756 (E_RNA)
where:
Base-Base interactions energy: -159.958
where: short stacking energy: -74.792
Base-Backbone interact. energy: -0.345
local terms energy: -87.758588
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -15.843
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: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -186.873692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.873692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.873692 (E_RNA)
where:
Base-Base interactions energy: -108.403
where: short stacking energy: -50.487
Base-Backbone interact. energy: -0.440
local terms energy: -78.031241
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -215.925059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.925059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.925059 (E_RNA)
where:
Base-Base interactions energy: -131.744
where: short stacking energy: -62.632
Base-Backbone interact. energy: -0.336
local terms energy: -83.844722
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -16.980
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: 2
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -136.243558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.243558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.243558 (E_RNA)
where:
Base-Base interactions energy: -62.232
where: short stacking energy: -56.004
Base-Backbone interact. energy: -0.344
local terms energy: -73.667718
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -6.753
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: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -120.468605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.468605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.468605 (E_RNA)
where:
Base-Base interactions energy: -46.291
where: short stacking energy: -46.291
Base-Backbone interact. energy: -0.176
local terms energy: -74.002420
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -6.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -109.040693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.040693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.040693 (E_RNA)
where:
Base-Base interactions energy: -44.089
where: short stacking energy: -39.763
Base-Backbone interact. energy: -0.591
local terms energy: -64.360755
where:
bonds (distance) C4'-P energy: -6.564
bonds (distance) P-C4' energy: -22.335
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -15.076
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)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -102.584087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.584087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.584087 (E_RNA)
where:
Base-Base interactions energy: -40.493
where: short stacking energy: -34.802
Base-Backbone interact. energy: 1.250
local terms energy: -63.341441
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -311.960065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.960065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.960065 (E_RNA)
where:
Base-Base interactions energy: -202.872
where: short stacking energy: -96.351
Base-Backbone interact. energy: -0.586
local terms energy: -108.502220
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -22.070
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -27.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -300.183239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.183239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.183239 (E_RNA)
where:
Base-Base interactions energy: -190.227
where: short stacking energy: -91.250
Base-Backbone interact. energy: 0.365
local terms energy: -110.321724
where:
bonds (distance) C4'-P energy: -21.233
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -28.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -303.192928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.192928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.192928 (E_RNA)
where:
Base-Base interactions energy: -199.944
where: short stacking energy: -92.881
Base-Backbone interact. energy: -0.433
local terms energy: -102.815708
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -17.308
tors. eta vs tors. theta energy: -25.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -256.632560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.632560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.632560 (E_RNA)
where:
Base-Base interactions energy: -161.006
where: short stacking energy: -76.788
Base-Backbone interact. energy: 0.374
local terms energy: -96.001027
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -24.244
flat angles C4'-P-C4' energy: -21.853
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -22.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -212.287424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.287424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.287424 (E_RNA)
where:
Base-Base interactions energy: -116.931
where: short stacking energy: -61.675
Base-Backbone interact. energy: -1.612
local terms energy: -93.744645
where:
bonds (distance) C4'-P energy: -20.687
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -17.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -206.136256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.136256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.136256 (E_RNA)
where:
Base-Base interactions energy: -129.417
where: short stacking energy: -60.167
Base-Backbone interact. energy: -0.540
local terms energy: -76.179540
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: -14.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -127.339507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.339507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.339507 (E_RNA)
where:
Base-Base interactions energy: -48.950
where: short stacking energy: -48.400
Base-Backbone interact. energy: -0.155
local terms energy: -78.234104
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -7.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -146.533934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.533934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.533934 (E_RNA)
where:
Base-Base interactions energy: -77.061
where: short stacking energy: -46.576
Base-Backbone interact. energy: -0.193
local terms energy: -69.280156
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -7.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -109.265917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.265917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.265917 (E_RNA)
where:
Base-Base interactions energy: -46.084
where: short stacking energy: -43.931
Base-Backbone interact. energy: 1.325
local terms energy: -64.506136
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -136.963866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.963866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.963866 (E_RNA)
where:
Base-Base interactions energy: -69.577
where: short stacking energy: -34.603
Base-Backbone interact. energy: -1.471
local terms energy: -65.915299
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -315.385200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.385200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.385200 (E_RNA)
where:
Base-Base interactions energy: -203.661
where: short stacking energy: -95.917
Base-Backbone interact. energy: -0.688
local terms energy: -111.035858
where:
bonds (distance) C4'-P energy: -22.267
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -23.962
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -25.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -289.853150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.853150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.853150 (E_RNA)
where:
Base-Base interactions energy: -192.285
where: short stacking energy: -87.877
Base-Backbone interact. energy: -0.433
local terms energy: -97.135057
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -18.254
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -24.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -237.948849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.948849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.948849 (E_RNA)
where:
Base-Base interactions energy: -142.361
where: short stacking energy: -72.611
Base-Backbone interact. energy: -0.027
local terms energy: -95.560410
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -23.681
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -19.304
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: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -291.736413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.736413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.736413 (E_RNA)
where:
Base-Base interactions energy: -190.622
where: short stacking energy: -94.354
Base-Backbone interact. energy: -0.319
local terms energy: -100.795094
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: -23.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -222.184216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.184216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.184216 (E_RNA)
where:
Base-Base interactions energy: -128.801
where: short stacking energy: -81.528
Base-Backbone interact. energy: -0.006
local terms energy: -93.377093
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -23.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -170.406091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.406091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.406091 (E_RNA)
where:
Base-Base interactions energy: -93.318
where: short stacking energy: -58.610
Base-Backbone interact. energy: -0.131
local terms energy: -76.957654
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -125.889064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.889064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.889064 (E_RNA)
where:
Base-Base interactions energy: -56.989
where: short stacking energy: -57.389
Base-Backbone interact. energy: 0.110
local terms energy: -69.009498
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -15.960
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: 8, replica: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -157.839902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.839902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.839902 (E_RNA)
where:
Base-Base interactions energy: -80.632
where: short stacking energy: -39.508
Base-Backbone interact. energy: 0.234
local terms energy: -77.442040
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -106.237770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.237770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.237770 (E_RNA)
where:
Base-Base interactions energy: -43.151
where: short stacking energy: -41.965
Base-Backbone interact. energy: -0.427
local terms energy: -62.659921
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -10.709
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -105.541303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.541303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.541303 (E_RNA)
where:
Base-Base interactions energy: -54.503
where: short stacking energy: -23.111
Base-Backbone interact. energy: -0.478
local terms energy: -50.560895
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: 3.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -318.865214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.865214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.865214 (E_RNA)
where:
Base-Base interactions energy: -213.789
where: short stacking energy: -95.754
Base-Backbone interact. energy: -0.379
local terms energy: -104.697114
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -24.210
flat angles P-C4'-P energy: -15.785
tors. eta vs tors. theta energy: -21.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -288.685469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.685469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.685469 (E_RNA)
where:
Base-Base interactions energy: -200.840
where: short stacking energy: -79.259
Base-Backbone interact. energy: 0.256
local terms energy: -88.101787
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -260.807465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.807465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.807465 (E_RNA)
where:
Base-Base interactions energy: -166.273
where: short stacking energy: -87.392
Base-Backbone interact. energy: -0.252
local terms energy: -94.282452
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -23.407
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: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -288.590336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.590336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.590336 (E_RNA)
where:
Base-Base interactions energy: -188.462
where: short stacking energy: -82.542
Base-Backbone interact. energy: -1.161
local terms energy: -98.967268
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -22.282
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -24.106
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: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -207.438997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.438997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.438997 (E_RNA)
where:
Base-Base interactions energy: -115.175
where: short stacking energy: -63.473
Base-Backbone interact. energy: 0.185
local terms energy: -92.448383
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -21.463
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -18.472
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: 6, replica: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -171.733053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.733053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.733053 (E_RNA)
where:
Base-Base interactions energy: -92.876
where: short stacking energy: -58.242
Base-Backbone interact. energy: -0.231
local terms energy: -78.626553
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -19.680
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -121.695124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.695124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.695124 (E_RNA)
where:
Base-Base interactions energy: -53.869
where: short stacking energy: -43.378
Base-Backbone interact. energy: -0.252
local terms energy: -67.573547
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -5.781
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: 7
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -151.266552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.266552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.266552 (E_RNA)
where:
Base-Base interactions energy: -89.115
where: short stacking energy: -51.422
Base-Backbone interact. energy: -0.266
local terms energy: -61.885664
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -21.744
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -128.111317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.111317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.111317 (E_RNA)
where:
Base-Base interactions energy: -57.860
where: short stacking energy: -46.825
Base-Backbone interact. energy: -0.017
local terms energy: -70.234375
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -8.064
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: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -101.446760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.446760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.446760 (E_RNA)
where:
Base-Base interactions energy: -38.744
where: short stacking energy: -34.348
Base-Backbone interact. energy: -0.215
local terms energy: -62.488248
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: 0.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -315.162360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.162360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.162360 (E_RNA)
where:
Base-Base interactions energy: -214.622
where: short stacking energy: -92.832
Base-Backbone interact. energy: -0.227
local terms energy: -100.313107
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -29.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -294.137625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.137625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.137625 (E_RNA)
where:
Base-Base interactions energy: -195.752
where: short stacking energy: -87.586
Base-Backbone interact. energy: -2.319
local terms energy: -96.066464
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -24.237
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -21.704
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: 374
Temperature: 1.000000
Total energy: -306.479873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.479873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.479873 (E_RNA)
where:
Base-Base interactions energy: -206.060
where: short stacking energy: -86.096
Base-Backbone interact. energy: -0.520
local terms energy: -99.900557
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -25.249
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: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -249.929332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.929332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.929332 (E_RNA)
where:
Base-Base interactions energy: -153.948
where: short stacking energy: -76.374
Base-Backbone interact. energy: -0.047
local terms energy: -95.934002
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -23.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -169.051824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.051824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.051824 (E_RNA)
where:
Base-Base interactions energy: -91.359
where: short stacking energy: -59.654
Base-Backbone interact. energy: -1.939
local terms energy: -75.753705
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -12.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -180.516675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.516675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.516675 (E_RNA)
where:
Base-Base interactions energy: -104.642
where: short stacking energy: -63.006
Base-Backbone interact. energy: 0.466
local terms energy: -76.340405
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -10.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -172.631042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.631042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.631042 (E_RNA)
where:
Base-Base interactions energy: -91.848
where: short stacking energy: -54.190
Base-Backbone interact. energy: -1.042
local terms energy: -79.741139
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -23.472
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -6.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -119.399567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.399567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.399567 (E_RNA)
where:
Base-Base interactions energy: -65.566
where: short stacking energy: -47.971
Base-Backbone interact. energy: 0.563
local terms energy: -54.396643
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -1.220
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: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -108.764115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.764115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.764115 (E_RNA)
where:
Base-Base interactions energy: -35.977
where: short stacking energy: -35.550
Base-Backbone interact. energy: -0.430
local terms energy: -72.357889
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -4.356
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: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -101.136559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.136559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.136559 (E_RNA)
where:
Base-Base interactions energy: -41.104
where: short stacking energy: -41.104
Base-Backbone interact. energy: -1.263
local terms energy: -58.769960
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -2.973
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: 10
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -321.461197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.461197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.461197 (E_RNA)
where:
Base-Base interactions energy: -210.273
where: short stacking energy: -97.654
Base-Backbone interact. energy: -0.080
local terms energy: -111.108090
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -27.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -324.273902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.273902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.273902 (E_RNA)
where:
Base-Base interactions energy: -212.843
where: short stacking energy: -92.433
Base-Backbone interact. energy: -0.193
local terms energy: -111.238099
where:
bonds (distance) C4'-P energy: -21.396
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -26.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -290.324802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.324802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.324802 (E_RNA)
where:
Base-Base interactions energy: -192.446
where: short stacking energy: -76.724
Base-Backbone interact. energy: -0.163
local terms energy: -97.715383
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -23.648
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: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -246.801546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.801546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.801546 (E_RNA)
where:
Base-Base interactions energy: -150.736
where: short stacking energy: -80.978
Base-Backbone interact. energy: -0.712
local terms energy: -95.353558
where:
bonds (distance) C4'-P energy: -20.378
bonds (distance) P-C4' energy: -22.568
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -185.746445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.746445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.746445 (E_RNA)
where:
Base-Base interactions energy: -106.216
where: short stacking energy: -51.197
Base-Backbone interact. energy: 0.495
local terms energy: -80.025497
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -179.083079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.083079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.083079 (E_RNA)
where:
Base-Base interactions energy: -108.127
where: short stacking energy: -52.162
Base-Backbone interact. energy: -0.250
local terms energy: -70.706921
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -9.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -194.052312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.052312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.052312 (E_RNA)
where:
Base-Base interactions energy: -113.273
where: short stacking energy: -49.745
Base-Backbone interact. energy: -0.405
local terms energy: -80.374139
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -20.415
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -120.625150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.625150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.625150 (E_RNA)
where:
Base-Base interactions energy: -59.542
where: short stacking energy: -40.288
Base-Backbone interact. energy: -0.457
local terms energy: -60.626664
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -7.767
flat angles P-C4'-P energy: -12.791
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: 375
Temperature: 1.300000
Total energy: -114.508203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.508203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.508203 (E_RNA)
where:
Base-Base interactions energy: -48.179
where: short stacking energy: -43.530
Base-Backbone interact. energy: -0.260
local terms energy: -66.069553
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -4.327
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: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -97.457983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.457983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.457983 (E_RNA)
where:
Base-Base interactions energy: -35.885
where: short stacking energy: -22.374
Base-Backbone interact. energy: -0.459
local terms energy: -61.113310
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: 7.819
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: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -328.503616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.503616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.503616 (E_RNA)
where:
Base-Base interactions energy: -219.102
where: short stacking energy: -94.889
Base-Backbone interact. energy: -0.213
local terms energy: -109.188784
where:
bonds (distance) C4'-P energy: -21.228
bonds (distance) P-C4' energy: -24.183
flat angles C4'-P-C4' energy: -25.015
flat angles P-C4'-P energy: -13.897
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: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -320.831493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.831493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.831493 (E_RNA)
where:
Base-Base interactions energy: -217.422
where: short stacking energy: -97.050
Base-Backbone interact. energy: -0.189
local terms energy: -103.219675
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -23.313
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -22.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -283.115559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.115559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.115559 (E_RNA)
where:
Base-Base interactions energy: -188.636
where: short stacking energy: -89.196
Base-Backbone interact. energy: -0.257
local terms energy: -94.222888
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -21.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -252.602521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.602521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.602521 (E_RNA)
where:
Base-Base interactions energy: -148.510
where: short stacking energy: -86.218
Base-Backbone interact. energy: 0.861
local terms energy: -104.953607
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -18.459
tors. eta vs tors. theta energy: -25.657
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: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -180.699605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.699605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.699605 (E_RNA)
where:
Base-Base interactions energy: -112.375
where: short stacking energy: -56.810
Base-Backbone interact. energy: -0.275
local terms energy: -68.049359
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -192.528996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.528996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.528996 (E_RNA)
where:
Base-Base interactions energy: -111.849
where: short stacking energy: -67.335
Base-Backbone interact. energy: 2.026
local terms energy: -82.706062
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: -12.275
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: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -194.725863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.725863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.725863 (E_RNA)
where:
Base-Base interactions energy: -119.244
where: short stacking energy: -61.290
Base-Backbone interact. energy: 2.721
local terms energy: -78.202757
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -118.314766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.314766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.314766 (E_RNA)
where:
Base-Base interactions energy: -43.287
where: short stacking energy: -38.918
Base-Backbone interact. energy: -0.149
local terms energy: -74.879099
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -22.057
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -110.760024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.760024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.760024 (E_RNA)
where:
Base-Base interactions energy: -41.472
where: short stacking energy: -40.905
Base-Backbone interact. energy: -0.310
local terms energy: -68.977208
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -21.301
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -111.924487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.924487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.924487 (E_RNA)
where:
Base-Base interactions energy: -40.684
where: short stacking energy: -31.102
Base-Backbone interact. energy: -0.295
local terms energy: -70.945608
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -325.056273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.056273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.056273 (E_RNA)
where:
Base-Base interactions energy: -220.854
where: short stacking energy: -98.109
Base-Backbone interact. energy: -0.584
local terms energy: -103.618625
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -17.608
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: 2, replica: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -309.169091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.169091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.169091 (E_RNA)
where:
Base-Base interactions energy: -208.640
where: short stacking energy: -89.481
Base-Backbone interact. energy: -0.299
local terms energy: -100.230019
where:
bonds (distance) C4'-P energy: -23.994
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -28.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -297.841276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.841276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.841276 (E_RNA)
where:
Base-Base interactions energy: -196.827
where: short stacking energy: -91.871
Base-Backbone interact. energy: -0.232
local terms energy: -100.782213
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -25.372
flat angles P-C4'-P energy: -18.466
tors. eta vs tors. theta energy: -25.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -188.547886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.547886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.547886 (E_RNA)
where:
Base-Base interactions energy: -104.653
where: short stacking energy: -54.390
Base-Backbone interact. energy: -0.053
local terms energy: -83.842314
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -23.086
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -10.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -233.880311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.880311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.880311 (E_RNA)
where:
Base-Base interactions energy: -143.948
where: short stacking energy: -71.331
Base-Backbone interact. energy: 0.828
local terms energy: -90.760582
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -13.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -188.885492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.885492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.885492 (E_RNA)
where:
Base-Base interactions energy: -97.064
where: short stacking energy: -51.600
Base-Backbone interact. energy: -0.735
local terms energy: -91.085797
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -23.477
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -188.869121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.869121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.869121 (E_RNA)
where:
Base-Base interactions energy: -106.387
where: short stacking energy: -59.917
Base-Backbone interact. energy: -0.432
local terms energy: -82.050224
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -22.851
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -126.505104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.505104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.505104 (E_RNA)
where:
Base-Base interactions energy: -55.675
where: short stacking energy: -43.744
Base-Backbone interact. energy: -0.073
local terms energy: -70.757259
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -111.659970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.659970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.659970 (E_RNA)
where:
Base-Base interactions energy: -45.426
where: short stacking energy: -26.937
Base-Backbone interact. energy: 1.174
local terms energy: -67.407414
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -12.759
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: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -97.939254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.939254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.939254 (E_RNA)
where:
Base-Base interactions energy: -35.567
where: short stacking energy: -28.097
Base-Backbone interact. energy: 0.833
local terms energy: -63.205776
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: 2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -316.397515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.397515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.397515 (E_RNA)
where:
Base-Base interactions energy: -212.109
where: short stacking energy: -96.810
Base-Backbone interact. energy: -0.217
local terms energy: -104.070962
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -27.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -313.679151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.679151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.679151 (E_RNA)
where:
Base-Base interactions energy: -204.947
where: short stacking energy: -99.733
Base-Backbone interact. energy: -0.172
local terms energy: -108.560304
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -21.421
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -27.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -290.806558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.806558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.806558 (E_RNA)
where:
Base-Base interactions energy: -184.754
where: short stacking energy: -92.734
Base-Backbone interact. energy: -0.223
local terms energy: -105.828968
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -21.257
flat angles C4'-P-C4' energy: -24.436
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -27.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -175.729984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.729984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.729984 (E_RNA)
where:
Base-Base interactions energy: -86.790
where: short stacking energy: -64.007
Base-Backbone interact. energy: 1.520
local terms energy: -90.459226
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -24.063
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -16.181
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: 5, replica: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -244.892955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.892955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.892955 (E_RNA)
where:
Base-Base interactions energy: -149.018
where: short stacking energy: -80.876
Base-Backbone interact. energy: -0.240
local terms energy: -95.635207
where:
bonds (distance) C4'-P energy: -24.583
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -22.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -203.613705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.613705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.613705 (E_RNA)
where:
Base-Base interactions energy: -124.931
where: short stacking energy: -61.621
Base-Backbone interact. energy: 0.694
local terms energy: -79.376853
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -189.357317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.357317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.357317 (E_RNA)
where:
Base-Base interactions energy: -107.457
where: short stacking energy: -62.922
Base-Backbone interact. energy: -0.618
local terms energy: -81.282351
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -15.062
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: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -124.870065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.870065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.870065 (E_RNA)
where:
Base-Base interactions energy: -51.152
where: short stacking energy: -39.196
Base-Backbone interact. energy: -0.492
local terms energy: -73.226299
where:
bonds (distance) C4'-P energy: -21.724
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -2.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -109.504071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.504071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.504071 (E_RNA)
where:
Base-Base interactions energy: -51.879
where: short stacking energy: -33.970
Base-Backbone interact. energy: -1.152
local terms energy: -56.473156
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -7.557
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: 10, replica: 2
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -109.626179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.626179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.626179 (E_RNA)
where:
Base-Base interactions energy: -50.111
where: short stacking energy: -29.109
Base-Backbone interact. energy: -0.178
local terms energy: -59.337212
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -7.807
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)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -312.915455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.915455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.915455 (E_RNA)
where:
Base-Base interactions energy: -207.103
where: short stacking energy: -90.782
Base-Backbone interact. energy: -0.522
local terms energy: -105.290368
where:
bonds (distance) C4'-P energy: -23.240
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -23.032
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -25.456
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: 379
Temperature: 0.950000
Total energy: -294.175501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.175501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.175501 (E_RNA)
where:
Base-Base interactions energy: -193.350
where: short stacking energy: -80.235
Base-Backbone interact. energy: -0.262
local terms energy: -100.563524
where:
bonds (distance) C4'-P energy: -24.369
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -14.868
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: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -314.135650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.135650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.135650 (E_RNA)
where:
Base-Base interactions energy: -209.631
where: short stacking energy: -95.173
Base-Backbone interact. energy: -0.114
local terms energy: -104.389752
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -22.421
flat angles C4'-P-C4' energy: -21.345
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -27.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -227.308718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.308718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.308718 (E_RNA)
where:
Base-Base interactions energy: -136.301
where: short stacking energy: -69.118
Base-Backbone interact. energy: -0.119
local terms energy: -90.888649
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -19.788
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: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -172.828982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.828982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.828982 (E_RNA)
where:
Base-Base interactions energy: -80.732
where: short stacking energy: -56.665
Base-Backbone interact. energy: -0.373
local terms energy: -91.724524
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -21.950
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -207.177444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.177444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.177444 (E_RNA)
where:
Base-Base interactions energy: -112.173
where: short stacking energy: -74.038
Base-Backbone interact. energy: -1.594
local terms energy: -93.410362
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -22.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -203.379043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.379043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.379043 (E_RNA)
where:
Base-Base interactions energy: -116.752
where: short stacking energy: -64.513
Base-Backbone interact. energy: -0.232
local terms energy: -86.394850
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -16.918
tors. eta vs tors. theta energy: -15.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -114.587187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.587187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.587187 (E_RNA)
where:
Base-Base interactions energy: -45.107
where: short stacking energy: -45.107
Base-Backbone interact. energy: -0.129
local terms energy: -69.351179
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -110.611122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.611122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.611122 (E_RNA)
where:
Base-Base interactions energy: -50.142
where: short stacking energy: -33.994
Base-Backbone interact. energy: 1.010
local terms energy: -61.479433
where:
bonds (distance) C4'-P energy: -7.664
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -22.269
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: 4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -109.525893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.525893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.525893 (E_RNA)
where:
Base-Base interactions energy: -41.965
where: short stacking energy: -34.207
Base-Backbone interact. energy: -0.496
local terms energy: -67.065370
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -14.977
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: 1, replica: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -320.281644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.281644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.281644 (E_RNA)
where:
Base-Base interactions energy: -207.483
where: short stacking energy: -104.338
Base-Backbone interact. energy: 0.851
local terms energy: -113.649872
where:
bonds (distance) C4'-P energy: -21.496
bonds (distance) P-C4' energy: -21.670
flat angles C4'-P-C4' energy: -24.089
flat angles P-C4'-P energy: -20.690
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: 2, replica: 9
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -290.102127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.102127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.102127 (E_RNA)
where:
Base-Base interactions energy: -196.168
where: short stacking energy: -93.754
Base-Backbone interact. energy: 1.114
local terms energy: -95.047244
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -298.791908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.791908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.791908 (E_RNA)
where:
Base-Base interactions energy: -196.211
where: short stacking energy: -88.594
Base-Backbone interact. energy: -1.025
local terms energy: -101.556263
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -24.102
flat angles P-C4'-P energy: -17.744
tors. eta vs tors. theta energy: -22.983
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: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -261.452066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.452066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.452066 (E_RNA)
where:
Base-Base interactions energy: -164.550
where: short stacking energy: -87.349
Base-Backbone interact. energy: -0.252
local terms energy: -96.649757
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -26.072
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: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -200.814665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.814665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.814665 (E_RNA)
where:
Base-Base interactions energy: -110.862
where: short stacking energy: -67.653
Base-Backbone interact. energy: -0.109
local terms energy: -89.844332
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -22.724
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -17.848
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: 380
Temperature: 1.150000
Total energy: -149.224305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.224305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.224305 (E_RNA)
where:
Base-Base interactions energy: -79.841
where: short stacking energy: -51.580
Base-Backbone interact. energy: -0.223
local terms energy: -69.160466
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -6.710
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -9.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -184.423247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.423247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.423247 (E_RNA)
where:
Base-Base interactions energy: -99.102
where: short stacking energy: -61.116
Base-Backbone interact. energy: -0.806
local terms energy: -84.515204
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -9.615
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: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -119.259069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.259069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.259069 (E_RNA)
where:
Base-Base interactions energy: -37.854
where: short stacking energy: -36.909
Base-Backbone interact. energy: -1.772
local terms energy: -79.633757
where:
bonds (distance) C4'-P energy: -22.503
bonds (distance) P-C4' energy: -24.509
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -4.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -100.870759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.870759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.870759 (E_RNA)
where:
Base-Base interactions energy: -40.192
where: short stacking energy: -31.795
Base-Backbone interact. energy: -1.475
local terms energy: -59.204284
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -3.476
tors. eta vs tors. theta energy: 1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -105.675277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.675277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.675277 (E_RNA)
where:
Base-Base interactions energy: -40.084
where: short stacking energy: -40.084
Base-Backbone interact. energy: -0.219
local terms energy: -65.372227
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -20.357
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -3.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -315.071384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.071384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.071384 (E_RNA)
where:
Base-Base interactions energy: -199.882
where: short stacking energy: -96.976
Base-Backbone interact. energy: -0.369
local terms energy: -114.820424
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -24.854
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -17.971
tors. eta vs tors. theta energy: -26.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -313.878290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.878290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.878290 (E_RNA)
where:
Base-Base interactions energy: -211.910
where: short stacking energy: -91.717
Base-Backbone interact. energy: -0.289
local terms energy: -101.679395
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -24.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -300.166697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.166697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.166697 (E_RNA)
where:
Base-Base interactions energy: -195.998
where: short stacking energy: -93.237
Base-Backbone interact. energy: -0.165
local terms energy: -104.003542
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -21.541
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -26.498
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: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -249.914133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.914133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.914133 (E_RNA)
where:
Base-Base interactions energy: -150.224
where: short stacking energy: -85.529
Base-Backbone interact. energy: -0.074
local terms energy: -99.616578
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -22.907
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -24.342
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: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -200.699765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.699765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.699765 (E_RNA)
where:
Base-Base interactions energy: -117.171
where: short stacking energy: -63.003
Base-Backbone interact. energy: -0.216
local terms energy: -83.313284
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -187.887643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.887643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.887643 (E_RNA)
where:
Base-Base interactions energy: -114.902
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.123
local terms energy: -72.863071
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -15.179
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: 4
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -131.929435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.929435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.929435 (E_RNA)
where:
Base-Base interactions energy: -55.122
where: short stacking energy: -39.975
Base-Backbone interact. energy: -0.083
local terms energy: -76.724429
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -13.624
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: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -127.618909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.618909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.618909 (E_RNA)
where:
Base-Base interactions energy: -62.018
where: short stacking energy: -55.436
Base-Backbone interact. energy: -0.335
local terms energy: -65.265067
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -104.353670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.353670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.353670 (E_RNA)
where:
Base-Base interactions energy: -42.419
where: short stacking energy: -28.551
Base-Backbone interact. energy: 0.990
local terms energy: -62.924625
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -3.865
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: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -101.430079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.430079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.430079 (E_RNA)
where:
Base-Base interactions energy: -39.283
where: short stacking energy: -38.526
Base-Backbone interact. energy: -0.166
local terms energy: -61.980262
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -325.981777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.981777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.981777 (E_RNA)
where:
Base-Base interactions energy: -224.359
where: short stacking energy: -97.271
Base-Backbone interact. energy: 0.232
local terms energy: -101.854969
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -23.685
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -26.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -308.074077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.074077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.074077 (E_RNA)
where:
Base-Base interactions energy: -201.792
where: short stacking energy: -81.906
Base-Backbone interact. energy: -0.663
local terms energy: -105.618455
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -22.891
flat angles P-C4'-P energy: -16.214
tors. eta vs tors. theta energy: -25.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -327.453142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.453142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.453142 (E_RNA)
where:
Base-Base interactions energy: -217.421
where: short stacking energy: -90.911
Base-Backbone interact. energy: -0.280
local terms energy: -109.752910
where:
bonds (distance) C4'-P energy: -22.126
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -17.358
tors. eta vs tors. theta energy: -27.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -257.352274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.352274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.352274 (E_RNA)
where:
Base-Base interactions energy: -151.647
where: short stacking energy: -91.651
Base-Backbone interact. energy: -0.175
local terms energy: -105.529555
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -19.765
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -28.149
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: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -209.592393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.592393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.592393 (E_RNA)
where:
Base-Base interactions energy: -132.403
where: short stacking energy: -68.688
Base-Backbone interact. energy: -0.257
local terms energy: -76.932755
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -18.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -194.572641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.572641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.572641 (E_RNA)
where:
Base-Base interactions energy: -103.993
where: short stacking energy: -58.756
Base-Backbone interact. energy: -0.217
local terms energy: -90.363016
where:
bonds (distance) C4'-P energy: -21.908
bonds (distance) P-C4' energy: -22.584
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -15.236
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: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -116.319887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.319887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.319887 (E_RNA)
where:
Base-Base interactions energy: -52.892
where: short stacking energy: -27.203
Base-Backbone interact. energy: -0.202
local terms energy: -63.226397
where:
bonds (distance) C4'-P energy: -19.693
bonds (distance) P-C4' energy: -19.459
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: 2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -122.849582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.849582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.849582 (E_RNA)
where:
Base-Base interactions energy: -58.481
where: short stacking energy: -44.235
Base-Backbone interact. energy: -1.507
local terms energy: -62.861327
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -6.311
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: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -107.604658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.604658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.604658 (E_RNA)
where:
Base-Base interactions energy: -32.632
where: short stacking energy: -30.668
Base-Backbone interact. energy: -0.198
local terms energy: -74.775025
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: 0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -101.876285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.876285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.876285 (E_RNA)
where:
Base-Base interactions energy: -35.260
where: short stacking energy: -30.677
Base-Backbone interact. energy: -0.069
local terms energy: -66.547021
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -326.820714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.820714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.820714 (E_RNA)
where:
Base-Base interactions energy: -216.447
where: short stacking energy: -98.949
Base-Backbone interact. energy: -0.206
local terms energy: -110.167069
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -22.425
flat angles C4'-P-C4' energy: -24.441
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -27.410
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: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -315.145878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.145878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.145878 (E_RNA)
where:
Base-Base interactions energy: -213.565
where: short stacking energy: -91.065
Base-Backbone interact. energy: -0.175
local terms energy: -101.405417
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -23.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -290.875214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.875214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.875214 (E_RNA)
where:
Base-Base interactions energy: -193.786
where: short stacking energy: -77.335
Base-Backbone interact. energy: -0.732
local terms energy: -96.357804
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -22.134
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -24.123
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: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -247.657150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.657150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.657150 (E_RNA)
where:
Base-Base interactions energy: -157.394
where: short stacking energy: -83.721
Base-Backbone interact. energy: -0.475
local terms energy: -89.788416
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -20.667
flat angles C4'-P-C4' energy: -23.002
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -230.094903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.094903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.094903 (E_RNA)
where:
Base-Base interactions energy: -136.651
where: short stacking energy: -71.597
Base-Backbone interact. energy: -0.101
local terms energy: -93.343304
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -20.451
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -193.287724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.287724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.287724 (E_RNA)
where:
Base-Base interactions energy: -107.026
where: short stacking energy: -65.876
Base-Backbone interact. energy: -0.031
local terms energy: -86.230873
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -16.387
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: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -121.146757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.146757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.146757 (E_RNA)
where:
Base-Base interactions energy: -49.154
where: short stacking energy: -46.093
Base-Backbone interact. energy: -0.456
local terms energy: -71.536976
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -9.599
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: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -105.041282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.041282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.041282 (E_RNA)
where:
Base-Base interactions energy: -45.399
where: short stacking energy: -45.399
Base-Backbone interact. energy: -0.393
local terms energy: -59.249641
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -8.553
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: 383
Temperature: 1.300000
Total energy: -124.473671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.473671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.473671 (E_RNA)
where:
Base-Base interactions energy: -49.298
where: short stacking energy: -34.643
Base-Backbone interact. energy: -0.734
local terms energy: -74.442118
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -9.486
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: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -98.396353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.396353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.396353 (E_RNA)
where:
Base-Base interactions energy: -38.294
where: short stacking energy: -29.327
Base-Backbone interact. energy: -0.417
local terms energy: -59.685482
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -6.861
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)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -330.387400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.387400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.387400 (E_RNA)
where:
Base-Base interactions energy: -227.805
where: short stacking energy: -101.425
Base-Backbone interact. energy: -0.223
local terms energy: -102.358841
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -27.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -305.714519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.714519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.714519 (E_RNA)
where:
Base-Base interactions energy: -201.636
where: short stacking energy: -87.420
Base-Backbone interact. energy: -0.224
local terms energy: -103.854863
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -25.795
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -25.773
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: 3, replica: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -298.703437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.703437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.703437 (E_RNA)
where:
Base-Base interactions energy: -202.120
where: short stacking energy: -92.796
Base-Backbone interact. energy: -0.161
local terms energy: -96.421838
where:
bonds (distance) C4'-P energy: -21.440
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -23.226
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -22.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -256.943037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.943037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.943037 (E_RNA)
where:
Base-Base interactions energy: -159.676
where: short stacking energy: -86.640
Base-Backbone interact. energy: -0.214
local terms energy: -97.053100
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -24.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -232.978191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.978191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.978191 (E_RNA)
where:
Base-Base interactions energy: -137.717
where: short stacking energy: -77.632
Base-Backbone interact. energy: -0.004
local terms energy: -95.256912
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -180.135787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.135787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.135787 (E_RNA)
where:
Base-Base interactions energy: -103.685
where: short stacking energy: -58.536
Base-Backbone interact. energy: -0.288
local terms energy: -76.162303
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -13.203
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: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -129.041702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.041702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.041702 (E_RNA)
where:
Base-Base interactions energy: -62.415
where: short stacking energy: -54.866
Base-Backbone interact. energy: -0.206
local terms energy: -66.421142
where:
bonds (distance) C4'-P energy: -19.956
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -2.622
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: 8, replica: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -108.677811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.677811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.677811 (E_RNA)
where:
Base-Base interactions energy: -38.564
where: short stacking energy: -38.564
Base-Backbone interact. energy: -0.106
local terms energy: -70.007556
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -123.612293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.612293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.612293 (E_RNA)
where:
Base-Base interactions energy: -50.501
where: short stacking energy: -50.501
Base-Backbone interact. energy: 1.014
local terms energy: -74.125517
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -110.760990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.760990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.760990 (E_RNA)
where:
Base-Base interactions energy: -55.173
where: short stacking energy: -50.971
Base-Backbone interact. energy: -0.104
local terms energy: -55.484205
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -3.496
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -322.571590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.571590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.571590 (E_RNA)
where:
Base-Base interactions energy: -216.639
where: short stacking energy: -92.256
Base-Backbone interact. energy: 0.845
local terms energy: -106.777297
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -22.760
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -23.474
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: 2, replica: 9
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -308.674177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.674177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.674177 (E_RNA)
where:
Base-Base interactions energy: -207.625
where: short stacking energy: -101.601
Base-Backbone interact. energy: -0.160
local terms energy: -100.888567
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -22.785
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -25.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -296.179627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.179627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.179627 (E_RNA)
where:
Base-Base interactions energy: -196.613
where: short stacking energy: -90.397
Base-Backbone interact. energy: 1.826
local terms energy: -101.392629
where:
bonds (distance) C4'-P energy: -21.117
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -23.251
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -21.306
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: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -247.188429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.188429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.188429 (E_RNA)
where:
Base-Base interactions energy: -152.278
where: short stacking energy: -81.818
Base-Backbone interact. energy: -0.505
local terms energy: -94.405883
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -19.801
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -16.216
tors. eta vs tors. theta energy: -23.694
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: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -237.396000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.396000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.396000 (E_RNA)
where:
Base-Base interactions energy: -136.000
where: short stacking energy: -74.851
Base-Backbone interact. energy: -1.011
local terms energy: -100.384492
where:
bonds (distance) C4'-P energy: -23.873
bonds (distance) P-C4' energy: -25.089
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -16.180
tors. eta vs tors. theta energy: -18.967
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: 7
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -200.837409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.837409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.837409 (E_RNA)
where:
Base-Base interactions energy: -115.569
where: short stacking energy: -52.918
Base-Backbone interact. energy: -0.276
local terms energy: -84.992548
where:
bonds (distance) C4'-P energy: -24.111
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -8.909
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: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -119.183643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.183643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.183643 (E_RNA)
where:
Base-Base interactions energy: -54.220
where: short stacking energy: -42.115
Base-Backbone interact. energy: -0.197
local terms energy: -64.766484
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -2.593
tors. eta vs tors. theta energy: -7.641
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: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -113.714721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.714721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.714721 (E_RNA)
where:
Base-Base interactions energy: -42.183
where: short stacking energy: -36.122
Base-Backbone interact. energy: -0.099
local terms energy: -71.433172
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -112.493537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.493537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.493537 (E_RNA)
where:
Base-Base interactions energy: -46.761
where: short stacking energy: -42.061
Base-Backbone interact. energy: 2.206
local terms energy: -67.938206
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -4.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -143.780870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.780870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.780870 (E_RNA)
where:
Base-Base interactions energy: -83.034
where: short stacking energy: -50.628
Base-Backbone interact. energy: -1.101
local terms energy: -59.646672
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -324.709558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.709558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.709558 (E_RNA)
where:
Base-Base interactions energy: -220.591
where: short stacking energy: -94.675
Base-Backbone interact. energy: -0.230
local terms energy: -103.888132
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -22.983
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -26.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -317.637720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.637720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.637720 (E_RNA)
where:
Base-Base interactions energy: -213.209
where: short stacking energy: -97.111
Base-Backbone interact. energy: -0.196
local terms energy: -104.232664
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: -29.551
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: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -234.984728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.984728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.984728 (E_RNA)
where:
Base-Base interactions energy: -139.673
where: short stacking energy: -67.349
Base-Backbone interact. energy: -0.889
local terms energy: -94.423530
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -19.935
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: 386
Temperature: 1.050000
Total energy: -294.841371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.841371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.841371 (E_RNA)
where:
Base-Base interactions energy: -192.304
where: short stacking energy: -81.858
Base-Backbone interact. energy: -0.675
local terms energy: -101.862161
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -22.558
flat angles C4'-P-C4' energy: -21.840
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -26.207
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: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -222.116949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.116949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.116949 (E_RNA)
where:
Base-Base interactions energy: -138.882
where: short stacking energy: -73.618
Base-Backbone interact. energy: -0.881
local terms energy: -82.353271
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -9.623
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: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -180.392064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.392064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.392064 (E_RNA)
where:
Base-Base interactions energy: -97.577
where: short stacking energy: -54.444
Base-Backbone interact. energy: 0.610
local terms energy: -83.425088
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -7.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -125.787198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.787198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.787198 (E_RNA)
where:
Base-Base interactions energy: -47.811
where: short stacking energy: -47.735
Base-Backbone interact. energy: -0.067
local terms energy: -77.909580
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -10.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -123.617987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.617987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.617987 (E_RNA)
where:
Base-Base interactions energy: -50.443
where: short stacking energy: -43.964
Base-Backbone interact. energy: -0.296
local terms energy: -72.878706
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -140.260393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.260393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.260393 (E_RNA)
where:
Base-Base interactions energy: -79.344
where: short stacking energy: -43.745
Base-Backbone interact. energy: 2.325
local terms energy: -63.240861
where:
bonds (distance) C4'-P energy: -18.320
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -7.785
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: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -102.154839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.154839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.154839 (E_RNA)
where:
Base-Base interactions energy: -32.504
where: short stacking energy: -30.969
Base-Backbone interact. energy: -0.463
local terms energy: -69.188773
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -315.994492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.994492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.994492 (E_RNA)
where:
Base-Base interactions energy: -211.694
where: short stacking energy: -99.528
Base-Backbone interact. energy: -0.407
local terms energy: -103.893230
where:
bonds (distance) C4'-P energy: -18.058
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -22.341
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -26.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -312.839669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.839669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.839669 (E_RNA)
where:
Base-Base interactions energy: -212.076
where: short stacking energy: -95.909
Base-Backbone interact. energy: -0.469
local terms energy: -100.294426
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -16.172
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: 3, replica: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -252.528540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.528540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.528540 (E_RNA)
where:
Base-Base interactions energy: -161.238
where: short stacking energy: -81.160
Base-Backbone interact. energy: -0.319
local terms energy: -90.971556
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -20.620
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -235.868139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.868139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.868139 (E_RNA)
where:
Base-Base interactions energy: -147.101
where: short stacking energy: -70.843
Base-Backbone interact. energy: -1.739
local terms energy: -87.028099
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -269.166975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.166975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.166975 (E_RNA)
where:
Base-Base interactions energy: -192.552
where: short stacking energy: -85.552
Base-Backbone interact. energy: -0.156
local terms energy: -76.458871
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -22.600
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: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -202.211356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.211356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.211356 (E_RNA)
where:
Base-Base interactions energy: -127.404
where: short stacking energy: -65.031
Base-Backbone interact. energy: -0.232
local terms energy: -74.575244
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -15.323
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: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -124.381461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.381461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.381461 (E_RNA)
where:
Base-Base interactions energy: -51.213
where: short stacking energy: -50.996
Base-Backbone interact. energy: 0.279
local terms energy: -73.447363
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -10.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -116.542904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.542904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.542904 (E_RNA)
where:
Base-Base interactions energy: -41.891
where: short stacking energy: -29.708
Base-Backbone interact. energy: 0.771
local terms energy: -75.422751
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: 1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -104.089064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.089064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.089064 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -29.324
Base-Backbone interact. energy: -0.352
local terms energy: -73.959552
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -5.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -116.061556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.061556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.061556 (E_RNA)
where:
Base-Base interactions energy: -49.309
where: short stacking energy: -48.550
Base-Backbone interact. energy: -0.214
local terms energy: -66.538173
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: -11.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -316.457968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.457968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.457968 (E_RNA)
where:
Base-Base interactions energy: -207.452
where: short stacking energy: -100.639
Base-Backbone interact. energy: -0.986
local terms energy: -108.020588
where:
bonds (distance) C4'-P energy: -21.772
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -20.426
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -30.008
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: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -308.675578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.675578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.675578 (E_RNA)
where:
Base-Base interactions energy: -208.311
where: short stacking energy: -97.232
Base-Backbone interact. energy: -0.204
local terms energy: -100.160832
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -11.103
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: 3, replica: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -238.490376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.490376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.490376 (E_RNA)
where:
Base-Base interactions energy: -138.400
where: short stacking energy: -73.643
Base-Backbone interact. energy: -0.316
local terms energy: -99.774294
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -13.773
tors. eta vs tors. theta energy: -18.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -262.701563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.701563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.701563 (E_RNA)
where:
Base-Base interactions energy: -153.487
where: short stacking energy: -92.598
Base-Backbone interact. energy: -0.078
local terms energy: -109.136731
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -27.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -277.575918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.575918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.575918 (E_RNA)
where:
Base-Base interactions energy: -182.866
where: short stacking energy: -84.880
Base-Backbone interact. energy: -0.770
local terms energy: -93.939924
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -24.232
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -19.930
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: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -227.638833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.638833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.638833 (E_RNA)
where:
Base-Base interactions energy: -137.288
where: short stacking energy: -64.198
Base-Backbone interact. energy: -0.076
local terms energy: -90.275166
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -113.751764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.751764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.751764 (E_RNA)
where:
Base-Base interactions energy: -49.755
where: short stacking energy: -43.450
Base-Backbone interact. energy: -0.465
local terms energy: -63.531319
where:
bonds (distance) C4'-P energy: -8.477
bonds (distance) P-C4' energy: -21.159
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -3.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -133.027932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.027932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.027932 (E_RNA)
where:
Base-Base interactions energy: -52.670
where: short stacking energy: -50.971
Base-Backbone interact. energy: -0.296
local terms energy: -80.062204
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -19.122
flat angles P-C4'-P energy: -8.033
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: 9, replica: 2
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -108.341821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.341821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.341821 (E_RNA)
where:
Base-Base interactions energy: -38.032
where: short stacking energy: -35.250
Base-Backbone interact. energy: -0.377
local terms energy: -69.932875
where:
bonds (distance) C4'-P energy: -22.498
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -6.659
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: 388
Temperature: 1.350000
Total energy: -99.178393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.178393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.178393 (E_RNA)
where:
Base-Base interactions energy: -48.909
where: short stacking energy: -45.468
Base-Backbone interact. energy: -0.535
local terms energy: -49.734123
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -3.668
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -313.165824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.165824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.165824 (E_RNA)
where:
Base-Base interactions energy: -207.466
where: short stacking energy: -103.194
Base-Backbone interact. energy: -0.152
local terms energy: -105.547141
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -27.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -310.584195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.584195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.584195 (E_RNA)
where:
Base-Base interactions energy: -203.508
where: short stacking energy: -96.296
Base-Backbone interact. energy: -0.053
local terms energy: -107.023313
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -15.875
tors. eta vs tors. theta energy: -31.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -252.429703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.429703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.429703 (E_RNA)
where:
Base-Base interactions energy: -154.881
where: short stacking energy: -80.499
Base-Backbone interact. energy: -0.009
local terms energy: -97.538901
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -21.961
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -24.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -298.625765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.625765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.625765 (E_RNA)
where:
Base-Base interactions energy: -195.638
where: short stacking energy: -90.262
Base-Backbone interact. energy: 0.294
local terms energy: -103.281910
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -23.603
flat angles C4'-P-C4' energy: -23.348
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -25.997
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: 389
Temperature: 1.100000
Total energy: -247.710969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.710969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.710969 (E_RNA)
where:
Base-Base interactions energy: -156.078
where: short stacking energy: -93.208
Base-Backbone interact. energy: -0.084
local terms energy: -91.549504
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -28.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -208.916300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.916300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.916300 (E_RNA)
where:
Base-Base interactions energy: -122.910
where: short stacking energy: -59.996
Base-Backbone interact. energy: -0.033
local terms energy: -85.973176
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -19.418
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -21.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -118.617236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.617236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.617236 (E_RNA)
where:
Base-Base interactions energy: -55.460
where: short stacking energy: -40.877
Base-Backbone interact. energy: -0.646
local terms energy: -62.511254
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: 0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -117.173846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.173846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.173846 (E_RNA)
where:
Base-Base interactions energy: -44.880
where: short stacking energy: -41.363
Base-Backbone interact. energy: -0.275
local terms energy: -72.018058
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -4.858
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: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -108.752371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.752371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.752371 (E_RNA)
where:
Base-Base interactions energy: -40.943
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.088
local terms energy: -67.721553
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -8.124
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: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -103.623776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.623776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.623776 (E_RNA)
where:
Base-Base interactions energy: -40.126
where: short stacking energy: -33.468
Base-Backbone interact. energy: 0.246
local terms energy: -63.743218
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -10.455
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)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -321.209337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.209337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.209337 (E_RNA)
where:
Base-Base interactions energy: -215.176
where: short stacking energy: -100.926
Base-Backbone interact. energy: -0.413
local terms energy: -105.620386
where:
bonds (distance) C4'-P energy: -19.571
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -23.430
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -29.274
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: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -310.377989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.377989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.377989 (E_RNA)
where:
Base-Base interactions energy: -204.185
where: short stacking energy: -98.739
Base-Backbone interact. energy: -0.598
local terms energy: -105.595308
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -22.237
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -26.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -306.713713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.713713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.713713 (E_RNA)
where:
Base-Base interactions energy: -200.109
where: short stacking energy: -90.468
Base-Backbone interact. energy: -0.861
local terms energy: -105.744176
where:
bonds (distance) C4'-P energy: -23.578
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -27.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -246.367481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.367481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.367481 (E_RNA)
where:
Base-Base interactions energy: -149.152
where: short stacking energy: -79.611
Base-Backbone interact. energy: -0.802
local terms energy: -96.413255
where:
bonds (distance) C4'-P energy: -22.731
bonds (distance) P-C4' energy: -24.202
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -15.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -233.716769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.716769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.716769 (E_RNA)
where:
Base-Base interactions energy: -147.835
where: short stacking energy: -75.494
Base-Backbone interact. energy: -0.054
local terms energy: -85.827183
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -18.622
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: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -222.902926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.902926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.902926 (E_RNA)
where:
Base-Base interactions energy: -134.154
where: short stacking energy: -64.928
Base-Backbone interact. energy: -0.628
local terms energy: -88.120147
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -21.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -118.500446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.500446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.500446 (E_RNA)
where:
Base-Base interactions energy: -46.250
where: short stacking energy: -42.214
Base-Backbone interact. energy: -0.119
local terms energy: -72.131455
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -115.270187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.270187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.270187 (E_RNA)
where:
Base-Base interactions energy: -52.336
where: short stacking energy: -32.511
Base-Backbone interact. energy: -0.953
local terms energy: -61.981935
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -2.573
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: 9, replica: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -111.593767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.593767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.593767 (E_RNA)
where:
Base-Base interactions energy: -50.943
where: short stacking energy: -37.039
Base-Backbone interact. energy: -0.258
local terms energy: -60.392997
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -109.421797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.421797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.421797 (E_RNA)
where:
Base-Base interactions energy: -45.565
where: short stacking energy: -31.637
Base-Backbone interact. energy: -0.342
local terms energy: -63.515382
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -324.996031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.996031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.996031 (E_RNA)
where:
Base-Base interactions energy: -218.469
where: short stacking energy: -99.639
Base-Backbone interact. energy: 0.055
local terms energy: -106.581814
where:
bonds (distance) C4'-P energy: -22.194
bonds (distance) P-C4' energy: -21.431
flat angles C4'-P-C4' energy: -25.461
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -28.227
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: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -313.757164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.757164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.757164 (E_RNA)
where:
Base-Base interactions energy: -209.434
where: short stacking energy: -97.120
Base-Backbone interact. energy: -0.080
local terms energy: -104.243290
where:
bonds (distance) C4'-P energy: -23.774
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -15.840
tors. eta vs tors. theta energy: -27.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -313.917512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.917512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.917512 (E_RNA)
where:
Base-Base interactions energy: -204.117
where: short stacking energy: -83.991
Base-Backbone interact. energy: -0.178
local terms energy: -109.622214
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -28.503
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: 391
Temperature: 1.050000
Total energy: -239.502502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.502502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.502502 (E_RNA)
where:
Base-Base interactions energy: -152.039
where: short stacking energy: -91.510
Base-Backbone interact. energy: -0.128
local terms energy: -87.334961
where:
bonds (distance) C4'-P energy: -8.907
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -24.557
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: 391
Temperature: 1.100000
Total energy: -229.888198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.888198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.888198 (E_RNA)
where:
Base-Base interactions energy: -152.235
where: short stacking energy: -61.589
Base-Backbone interact. energy: -0.458
local terms energy: -77.195623
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -3.945
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -219.486376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.486376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.486376 (E_RNA)
where:
Base-Base interactions energy: -130.503
where: short stacking energy: -79.843
Base-Backbone interact. energy: -0.828
local terms energy: -88.155359
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -15.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -134.985462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.985462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.985462 (E_RNA)
where:
Base-Base interactions energy: -58.935
where: short stacking energy: -50.400
Base-Backbone interact. energy: 0.301
local terms energy: -76.351651
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -20.947
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -116.768865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.768865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.768865 (E_RNA)
where:
Base-Base interactions energy: -48.671
where: short stacking energy: -41.145
Base-Backbone interact. energy: 0.009
local terms energy: -68.106847
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -3.654
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: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -99.815902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.815902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.815902 (E_RNA)
where:
Base-Base interactions energy: -43.123
where: short stacking energy: -31.813
Base-Backbone interact. energy: -0.600
local terms energy: -56.093208
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: 4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -100.294738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.294738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.294738 (E_RNA)
where:
Base-Base interactions energy: -30.402
where: short stacking energy: -18.177
Base-Backbone interact. energy: -0.319
local terms energy: -69.573734
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -24.873
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -0.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -318.995063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.995063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.995063 (E_RNA)
where:
Base-Base interactions energy: -211.763
where: short stacking energy: -97.550
Base-Backbone interact. energy: -0.104
local terms energy: -107.127178
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -20.452
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -27.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -320.585324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.585324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.585324 (E_RNA)
where:
Base-Base interactions energy: -225.090
where: short stacking energy: -92.244
Base-Backbone interact. energy: -1.169
local terms energy: -94.326313
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -26.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -252.418988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.418988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.418988 (E_RNA)
where:
Base-Base interactions energy: -153.705
where: short stacking energy: -77.172
Base-Backbone interact. energy: -0.156
local terms energy: -98.557593
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -291.148212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.148212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.148212 (E_RNA)
where:
Base-Base interactions energy: -190.316
where: short stacking energy: -95.270
Base-Backbone interact. energy: -1.663
local terms energy: -99.169130
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -25.225
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: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -233.509094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.509094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.509094 (E_RNA)
where:
Base-Base interactions energy: -150.517
where: short stacking energy: -69.502
Base-Backbone interact. energy: 0.331
local terms energy: -83.322938
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -23.400
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -10.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -209.172136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.172136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.172136 (E_RNA)
where:
Base-Base interactions energy: -120.384
where: short stacking energy: -66.737
Base-Backbone interact. energy: -0.164
local terms energy: -88.624358
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -153.032555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.032555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.032555 (E_RNA)
where:
Base-Base interactions energy: -71.694
where: short stacking energy: -61.035
Base-Backbone interact. energy: -0.014
local terms energy: -81.324644
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -12.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -117.467642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.467642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.467642 (E_RNA)
where:
Base-Base interactions energy: -46.125
where: short stacking energy: -38.888
Base-Backbone interact. energy: -0.330
local terms energy: -71.013236
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -10.903
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: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -128.086552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.086552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.086552 (E_RNA)
where:
Base-Base interactions energy: -59.532
where: short stacking energy: -40.860
Base-Backbone interact. energy: -1.145
local terms energy: -67.409663
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -4.771
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: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -114.833840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.833840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.833840 (E_RNA)
where:
Base-Base interactions energy: -51.591
where: short stacking energy: -37.103
Base-Backbone interact. energy: 0.622
local terms energy: -63.865078
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -329.218448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.218448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.218448 (E_RNA)
where:
Base-Base interactions energy: -223.807
where: short stacking energy: -98.927
Base-Backbone interact. energy: -0.142
local terms energy: -105.269912
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -25.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -333.218258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.218258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.218258 (E_RNA)
where:
Base-Base interactions energy: -222.688
where: short stacking energy: -96.811
Base-Backbone interact. energy: -0.981
local terms energy: -109.549677
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -27.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -260.342345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.342345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.342345 (E_RNA)
where:
Base-Base interactions energy: -159.851
where: short stacking energy: -85.555
Base-Backbone interact. energy: -0.660
local terms energy: -99.830794
where:
bonds (distance) C4'-P energy: -21.670
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -286.930556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.930556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.930556 (E_RNA)
where:
Base-Base interactions energy: -190.376
where: short stacking energy: -88.020
Base-Backbone interact. energy: -0.049
local terms energy: -96.505393
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -15.506
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: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -233.696171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.696171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.696171 (E_RNA)
where:
Base-Base interactions energy: -139.943
where: short stacking energy: -69.766
Base-Backbone interact. energy: -0.375
local terms energy: -93.378702
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -20.894
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -231.965188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.965188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.965188 (E_RNA)
where:
Base-Base interactions energy: -137.987
where: short stacking energy: -71.781
Base-Backbone interact. energy: -0.462
local terms energy: -93.516531
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -15.889
tors. eta vs tors. theta energy: -20.582
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: 393
Temperature: 1.200000
Total energy: -115.659238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.659238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.659238 (E_RNA)
where:
Base-Base interactions energy: -52.306
where: short stacking energy: -37.128
Base-Backbone interact. energy: -0.127
local terms energy: -63.226469
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -20.856
flat angles C4'-P-C4' energy: -19.428
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -118.313844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.313844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.313844 (E_RNA)
where:
Base-Base interactions energy: -61.428
where: short stacking energy: -31.926
Base-Backbone interact. energy: 1.020
local terms energy: -57.905289
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -130.721636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.721636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.721636 (E_RNA)
where:
Base-Base interactions energy: -62.820
where: short stacking energy: -28.813
Base-Backbone interact. energy: -1.610
local terms energy: -66.291257
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: 0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -105.457502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.457502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.457502 (E_RNA)
where:
Base-Base interactions energy: -31.069
where: short stacking energy: -28.589
Base-Backbone interact. energy: -0.389
local terms energy: -74.000126
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -23.786
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -325.861951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.861951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.861951 (E_RNA)
where:
Base-Base interactions energy: -213.830
where: short stacking energy: -96.727
Base-Backbone interact. energy: -2.153
local terms energy: -109.878253
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -20.857
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -31.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -324.493377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.493377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.493377 (E_RNA)
where:
Base-Base interactions energy: -222.634
where: short stacking energy: -97.334
Base-Backbone interact. energy: -0.125
local terms energy: -101.735227
where:
bonds (distance) C4'-P energy: -21.844
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -24.723
flat angles P-C4'-P energy: -14.207
tors. eta vs tors. theta energy: -23.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -315.848387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.848387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.848387 (E_RNA)
where:
Base-Base interactions energy: -212.572
where: short stacking energy: -94.707
Base-Backbone interact. energy: -0.128
local terms energy: -103.148078
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -15.150
tors. eta vs tors. theta energy: -28.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -246.962942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.962942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.962942 (E_RNA)
where:
Base-Base interactions energy: -156.806
where: short stacking energy: -75.087
Base-Backbone interact. energy: -0.488
local terms energy: -89.668500
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -20.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -242.788177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.788177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.788177 (E_RNA)
where:
Base-Base interactions energy: -156.003
where: short stacking energy: -90.276
Base-Backbone interact. energy: -0.071
local terms energy: -86.714074
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -232.819648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.819648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.819648 (E_RNA)
where:
Base-Base interactions energy: -140.682
where: short stacking energy: -67.493
Base-Backbone interact. energy: -0.625
local terms energy: -91.513377
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -16.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -130.666351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.666351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.666351 (E_RNA)
where:
Base-Base interactions energy: -57.381
where: short stacking energy: -51.476
Base-Backbone interact. energy: 0.554
local terms energy: -73.838918
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -134.548424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.548424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.548424 (E_RNA)
where:
Base-Base interactions energy: -57.652
where: short stacking energy: -47.540
Base-Backbone interact. energy: -0.280
local terms energy: -76.616311
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -22.541
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -103.173306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.173306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.173306 (E_RNA)
where:
Base-Base interactions energy: -41.560
where: short stacking energy: -34.673
Base-Backbone interact. energy: -0.346
local terms energy: -61.267102
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: 1.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -113.303988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.303988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.303988 (E_RNA)
where:
Base-Base interactions energy: -38.302
where: short stacking energy: -34.682
Base-Backbone interact. energy: -0.174
local terms energy: -74.828565
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -327.656266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.656266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.656266 (E_RNA)
where:
Base-Base interactions energy: -226.117
where: short stacking energy: -92.724
Base-Backbone interact. energy: 0.757
local terms energy: -102.295836
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -19.950
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -24.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -318.596194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.596194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.596194 (E_RNA)
where:
Base-Base interactions energy: -209.469
where: short stacking energy: -87.185
Base-Backbone interact. energy: -0.602
local terms energy: -108.525014
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -20.428
flat angles C4'-P-C4' energy: -24.068
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -25.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -307.353230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.353230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.353230 (E_RNA)
where:
Base-Base interactions energy: -214.232
where: short stacking energy: -85.659
Base-Backbone interact. energy: -0.184
local terms energy: -92.937108
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -15.277
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: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -245.306916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.306916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.306916 (E_RNA)
where:
Base-Base interactions energy: -157.455
where: short stacking energy: -79.839
Base-Backbone interact. energy: 2.531
local terms energy: -90.383525
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -21.867
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -241.034345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.034345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.034345 (E_RNA)
where:
Base-Base interactions energy: -161.607
where: short stacking energy: -63.055
Base-Backbone interact. energy: -0.044
local terms energy: -79.383543
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -218.185784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.185784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.185784 (E_RNA)
where:
Base-Base interactions energy: -134.446
where: short stacking energy: -58.498
Base-Backbone interact. energy: -1.115
local terms energy: -82.624835
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -9.616
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: 395
Temperature: 1.200000
Total energy: -130.083075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.083075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.083075 (E_RNA)
where:
Base-Base interactions energy: -52.898
where: short stacking energy: -50.752
Base-Backbone interact. energy: -0.176
local terms energy: -77.009387
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -16.877
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -112.348070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.348070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.348070 (E_RNA)
where:
Base-Base interactions energy: -45.472
where: short stacking energy: -42.239
Base-Backbone interact. energy: -0.097
local terms energy: -66.778918
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -1.948
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: 395
Temperature: 1.300000
Total energy: -122.308353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.308353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.308353 (E_RNA)
where:
Base-Base interactions energy: -49.451
where: short stacking energy: -39.121
Base-Backbone interact. energy: -0.939
local terms energy: -71.918527
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -18.686
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -5.594
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: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -107.202521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.202521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.202521 (E_RNA)
where:
Base-Base interactions energy: -44.473
where: short stacking energy: -44.473
Base-Backbone interact. energy: 0.407
local terms energy: -63.137136
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -331.730032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.730032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.730032 (E_RNA)
where:
Base-Base interactions energy: -223.460
where: short stacking energy: -96.714
Base-Backbone interact. energy: -0.229
local terms energy: -108.041334
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -23.364
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -31.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -304.127618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.127618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.127618 (E_RNA)
where:
Base-Base interactions energy: -206.708
where: short stacking energy: -92.176
Base-Backbone interact. energy: -0.327
local terms energy: -97.092163
where:
bonds (distance) C4'-P energy: -19.613
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -11.500
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: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -316.930491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.930491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.930491 (E_RNA)
where:
Base-Base interactions energy: -211.060
where: short stacking energy: -86.949
Base-Backbone interact. energy: -1.406
local terms energy: -104.464666
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -24.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -241.261018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.261018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.261018 (E_RNA)
where:
Base-Base interactions energy: -145.788
where: short stacking energy: -70.729
Base-Backbone interact. energy: -1.069
local terms energy: -94.404477
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -20.472
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -19.129
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: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -239.184099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.184099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.184099 (E_RNA)
where:
Base-Base interactions energy: -154.194
where: short stacking energy: -61.560
Base-Backbone interact. energy: -0.102
local terms energy: -84.887733
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -20.314
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -19.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -229.898659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.898659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.898659 (E_RNA)
where:
Base-Base interactions energy: -146.792
where: short stacking energy: -68.705
Base-Backbone interact. energy: -1.164
local terms energy: -81.943015
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -118.960793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.960793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.960793 (E_RNA)
where:
Base-Base interactions energy: -49.996
where: short stacking energy: -47.766
Base-Backbone interact. energy: -0.109
local terms energy: -68.856552
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -3.955
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: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -138.913192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.913192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.913192 (E_RNA)
where:
Base-Base interactions energy: -66.559
where: short stacking energy: -38.964
Base-Backbone interact. energy: -0.564
local terms energy: -71.789796
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -106.800676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.800676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.800676 (E_RNA)
where:
Base-Base interactions energy: -39.661
where: short stacking energy: -34.266
Base-Backbone interact. energy: 0.830
local terms energy: -67.969974
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -100.271717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.271717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.271717 (E_RNA)
where:
Base-Base interactions energy: -42.733
where: short stacking energy: -33.103
Base-Backbone interact. energy: 0.855
local terms energy: -58.393614
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -330.986144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.986144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.986144 (E_RNA)
where:
Base-Base interactions energy: -226.951
where: short stacking energy: -98.883
Base-Backbone interact. energy: -0.470
local terms energy: -103.564655
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -27.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -317.957315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.957315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.957315 (E_RNA)
where:
Base-Base interactions energy: -214.809
where: short stacking energy: -100.604
Base-Backbone interact. energy: 0.910
local terms energy: -104.058620
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -23.488
flat angles P-C4'-P energy: -13.469
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: 3, replica: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -301.650958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.650958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.650958 (E_RNA)
where:
Base-Base interactions energy: -203.810
where: short stacking energy: -100.618
Base-Backbone interact. energy: -0.833
local terms energy: -97.008518
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -30.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -256.912295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.912295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.912295 (E_RNA)
where:
Base-Base interactions energy: -165.446
where: short stacking energy: -80.457
Base-Backbone interact. energy: -0.151
local terms energy: -91.314793
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -21.924
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -13.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -247.936343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.936343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.936343 (E_RNA)
where:
Base-Base interactions energy: -144.817
where: short stacking energy: -77.859
Base-Backbone interact. energy: -0.198
local terms energy: -102.920931
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -24.007
flat angles P-C4'-P energy: -18.478
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: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -227.743775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.743775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.743775 (E_RNA)
where:
Base-Base interactions energy: -139.826
where: short stacking energy: -68.960
Base-Backbone interact. energy: -0.181
local terms energy: -87.736300
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -19.198
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -12.945
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: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -125.307149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.307149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.307149 (E_RNA)
where:
Base-Base interactions energy: -59.206
where: short stacking energy: -48.979
Base-Backbone interact. energy: -0.308
local terms energy: -65.793325
where:
bonds (distance) C4'-P energy: -8.374
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -122.315729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.315729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.315729 (E_RNA)
where:
Base-Base interactions energy: -47.640
where: short stacking energy: -44.463
Base-Backbone interact. energy: -0.085
local terms energy: -74.590354
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -6.315
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: 9, replica: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -117.765273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.765273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.765273 (E_RNA)
where:
Base-Base interactions energy: -45.170
where: short stacking energy: -36.577
Base-Backbone interact. energy: -1.281
local terms energy: -71.314004
where:
bonds (distance) C4'-P energy: -23.090
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -105.128375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.128375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.128375 (E_RNA)
where:
Base-Base interactions energy: -33.603
where: short stacking energy: -32.727
Base-Backbone interact. energy: 0.375
local terms energy: -71.899816
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -325.634240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.634240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.634240 (E_RNA)
where:
Base-Base interactions energy: -223.626
where: short stacking energy: -106.437
Base-Backbone interact. energy: -0.822
local terms energy: -101.187013
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -17.331
tors. eta vs tors. theta energy: -28.602
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: 398
Temperature: 0.950000
Total energy: -317.378609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.378609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.378609 (E_RNA)
where:
Base-Base interactions energy: -206.785
where: short stacking energy: -93.911
Base-Backbone interact. energy: 0.501
local terms energy: -111.094226
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -23.439
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -26.643
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: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -282.068524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.068524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.068524 (E_RNA)
where:
Base-Base interactions energy: -197.866
where: short stacking energy: -82.514
Base-Backbone interact. energy: 0.368
local terms energy: -84.570218
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -10.157
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: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -237.955097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.955097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.955097 (E_RNA)
where:
Base-Base interactions energy: -147.077
where: short stacking energy: -77.868
Base-Backbone interact. energy: -0.007
local terms energy: -90.870797
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -3.938
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -236.461187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.461187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.461187 (E_RNA)
where:
Base-Base interactions energy: -152.353
where: short stacking energy: -82.081
Base-Backbone interact. energy: -0.025
local terms energy: -84.082906
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -220.307608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.307608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.307608 (E_RNA)
where:
Base-Base interactions energy: -138.794
where: short stacking energy: -68.665
Base-Backbone interact. energy: 0.125
local terms energy: -81.638944
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -126.061218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.061218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.061218 (E_RNA)
where:
Base-Base interactions energy: -53.102
where: short stacking energy: -48.766
Base-Backbone interact. energy: -0.728
local terms energy: -72.231569
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -20.934
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -7.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -118.665914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.665914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.665914 (E_RNA)
where:
Base-Base interactions energy: -46.938
where: short stacking energy: -42.772
Base-Backbone interact. energy: -0.010
local terms energy: -71.718268
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -8.056
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: 8
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -105.564887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.564887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.564887 (E_RNA)
where:
Base-Base interactions energy: -45.791
where: short stacking energy: -43.466
Base-Backbone interact. energy: -0.362
local terms energy: -59.411903
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -115.870549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.870549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.870549 (E_RNA)
where:
Base-Base interactions energy: -42.477
where: short stacking energy: -42.477
Base-Backbone interact. energy: -0.169
local terms energy: -73.224422
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -12.066
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: 1, replica: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -344.373303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.373303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.373303 (E_RNA)
where:
Base-Base interactions energy: -234.612
where: short stacking energy: -100.131
Base-Backbone interact. energy: -1.392
local terms energy: -108.368698
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -22.898
flat angles P-C4'-P energy: -18.154
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: 2, replica: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -322.066155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.066155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.066155 (E_RNA)
where:
Base-Base interactions energy: -209.536
where: short stacking energy: -84.849
Base-Backbone interact. energy: -0.923
local terms energy: -111.607403
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -22.947
flat angles C4'-P-C4' energy: -23.643
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -26.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -288.276445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.276445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.276445 (E_RNA)
where:
Base-Base interactions energy: -193.720
where: short stacking energy: -86.983
Base-Backbone interact. energy: -0.716
local terms energy: -93.840817
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -18.528
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: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -231.076217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.076217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.076217 (E_RNA)
where:
Base-Base interactions energy: -140.396
where: short stacking energy: -76.129
Base-Backbone interact. energy: -0.196
local terms energy: -90.483602
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -17.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -241.372393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.372393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.372393 (E_RNA)
where:
Base-Base interactions energy: -145.989
where: short stacking energy: -76.705
Base-Backbone interact. energy: -0.290
local terms energy: -95.093575
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -21.109
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -229.327371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.327371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.327371 (E_RNA)
where:
Base-Base interactions energy: -141.647
where: short stacking energy: -66.426
Base-Backbone interact. energy: 0.086
local terms energy: -87.766253
where:
bonds (distance) C4'-P energy: -20.470
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -114.358834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.358834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.358834 (E_RNA)
where:
Base-Base interactions energy: -42.660
where: short stacking energy: -34.173
Base-Backbone interact. energy: -0.465
local terms energy: -71.233706
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -12.315
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: 8, replica: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -116.909696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.909696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.909696 (E_RNA)
where:
Base-Base interactions energy: -41.426
where: short stacking energy: -41.426
Base-Backbone interact. energy: 1.064
local terms energy: -76.547772
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -11.458
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: 9, replica: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -120.820716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.820716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.820716 (E_RNA)
where:
Base-Base interactions energy: -47.578
where: short stacking energy: -30.078
Base-Backbone interact. energy: -0.868
local terms energy: -72.374897
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -12.379
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: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -92.264666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.264666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.264666 (E_RNA)
where:
Base-Base interactions energy: -31.349
where: short stacking energy: -15.160
Base-Backbone interact. energy: -1.805
local terms energy: -59.111108
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: 5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -328.757571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.757571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.757571 (E_RNA)
where:
Base-Base interactions energy: -215.750
where: short stacking energy: -86.627
Base-Backbone interact. energy: 0.210
local terms energy: -113.217556
where:
bonds (distance) C4'-P energy: -24.316
bonds (distance) P-C4' energy: -24.244
flat angles C4'-P-C4' energy: -25.600
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -26.692
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: 400
Temperature: 0.950000
Total energy: -321.985821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.985821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.985821 (E_RNA)
where:
Base-Base interactions energy: -215.143
where: short stacking energy: -91.158
Base-Backbone interact. energy: -0.225
local terms energy: -106.618320
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -26.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -278.194225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.194225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.194225 (E_RNA)
where:
Base-Base interactions energy: -179.375
where: short stacking energy: -80.668
Base-Backbone interact. energy: -0.331
local terms energy: -98.488394
where:
bonds (distance) C4'-P energy: -21.112
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -23.251
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -20.776
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: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -238.125528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.125528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.125528 (E_RNA)
where:
Base-Base interactions energy: -146.098
where: short stacking energy: -69.106
Base-Backbone interact. energy: 1.048
local terms energy: -93.075650
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -22.858
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -19.557
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: 400
Temperature: 1.100000
Total energy: -242.035200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.035200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.035200 (E_RNA)
where:
Base-Base interactions energy: -145.015
where: short stacking energy: -77.201
Base-Backbone interact. energy: -0.422
local terms energy: -96.597891
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -22.694
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -15.291
tors. eta vs tors. theta energy: -19.337
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: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -232.399003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.399003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.399003 (E_RNA)
where:
Base-Base interactions energy: -145.804
where: short stacking energy: -88.535
Base-Backbone interact. energy: -1.547
local terms energy: -85.048216
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -23.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -127.775091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.775091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.775091 (E_RNA)
where:
Base-Base interactions energy: -61.169
where: short stacking energy: -49.619
Base-Backbone interact. energy: -0.151
local terms energy: -66.455246
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -18.336
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -122.122902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.122902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.122902 (E_RNA)
where:
Base-Base interactions energy: -57.036
where: short stacking energy: -45.534
Base-Backbone interact. energy: -0.227
local terms energy: -64.860132
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -6.024
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: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -131.483573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.483573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.483573 (E_RNA)
where:
Base-Base interactions energy: -59.056
where: short stacking energy: -38.065
Base-Backbone interact. energy: -0.136
local terms energy: -72.292026
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -12.981
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: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -105.204988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.204988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.204988 (E_RNA)
where:
Base-Base interactions energy: -45.242
where: short stacking energy: -31.687
Base-Backbone interact. energy: -0.916
local terms energy: -59.046342
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -6.541
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: 1, replica: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -327.615433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.615433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.615433 (E_RNA)
where:
Base-Base interactions energy: -216.747
where: short stacking energy: -89.275
Base-Backbone interact. energy: 0.237
local terms energy: -111.105747
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -20.293
flat angles P-C4'-P energy: -18.334
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: 401
Temperature: 0.950000
Total energy: -306.873631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.873631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.873631 (E_RNA)
where:
Base-Base interactions energy: -202.517
where: short stacking energy: -85.544
Base-Backbone interact. energy: 0.411
local terms energy: -104.767350
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -23.765
flat angles P-C4'-P energy: -18.848
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: 3, replica: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -284.283316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.283316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.283316 (E_RNA)
where:
Base-Base interactions energy: -197.193
where: short stacking energy: -82.959
Base-Backbone interact. energy: -0.171
local terms energy: -86.920129
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -17.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -259.612504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.612504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.612504 (E_RNA)
where:
Base-Base interactions energy: -156.452
where: short stacking energy: -82.525
Base-Backbone interact. energy: -0.406
local terms energy: -102.754424
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -22.128
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -25.106
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: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -231.136158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.136158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.136158 (E_RNA)
where:
Base-Base interactions energy: -130.690
where: short stacking energy: -74.599
Base-Backbone interact. energy: -0.166
local terms energy: -100.280038
where:
bonds (distance) C4'-P energy: -21.592
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -19.729
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: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -227.064571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.064571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.064571 (E_RNA)
where:
Base-Base interactions energy: -140.906
where: short stacking energy: -78.925
Base-Backbone interact. energy: -0.067
local terms energy: -86.091350
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -21.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -129.434523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.434523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.434523 (E_RNA)
where:
Base-Base interactions energy: -52.881
where: short stacking energy: -52.802
Base-Backbone interact. energy: -0.132
local terms energy: -76.422238
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -24.336
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -12.864
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: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -141.927793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.927793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.927793 (E_RNA)
where:
Base-Base interactions energy: -66.791
where: short stacking energy: -40.467
Base-Backbone interact. energy: -0.246
local terms energy: -74.890906
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -11.139
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: 2
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -102.226704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.226704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.226704 (E_RNA)
where:
Base-Base interactions energy: -39.941
where: short stacking energy: -37.369
Base-Backbone interact. energy: -0.383
local terms energy: -61.902800
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -20.877
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -109.183420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.183420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.183420 (E_RNA)
where:
Base-Base interactions energy: -45.988
where: short stacking energy: -47.125
Base-Backbone interact. energy: -0.732
local terms energy: -62.463135
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: -1.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -336.279920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.279920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.279920 (E_RNA)
where:
Base-Base interactions energy: -231.589
where: short stacking energy: -100.490
Base-Backbone interact. energy: -0.242
local terms energy: -104.449463
where:
bonds (distance) C4'-P energy: -22.421
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -26.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -308.809079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.809079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.809079 (E_RNA)
where:
Base-Base interactions energy: -200.191
where: short stacking energy: -92.935
Base-Backbone interact. energy: -0.100
local terms energy: -108.518382
where:
bonds (distance) C4'-P energy: -24.842
bonds (distance) P-C4' energy: -19.845
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -25.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -273.499081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.499081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.499081 (E_RNA)
where:
Base-Base interactions energy: -174.152
where: short stacking energy: -73.346
Base-Backbone interact. energy: -0.054
local terms energy: -99.292893
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -24.629
flat angles C4'-P-C4' energy: -22.222
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -18.869
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: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -284.589839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.589839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.589839 (E_RNA)
where:
Base-Base interactions energy: -181.107
where: short stacking energy: -85.915
Base-Backbone interact. energy: -0.784
local terms energy: -102.698781
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -24.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -241.661329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.661329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.661329 (E_RNA)
where:
Base-Base interactions energy: -148.348
where: short stacking energy: -79.702
Base-Backbone interact. energy: -1.688
local terms energy: -91.624759
where:
bonds (distance) C4'-P energy: -20.459
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -22.012
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -221.284255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.284255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.284255 (E_RNA)
where:
Base-Base interactions energy: -134.744
where: short stacking energy: -77.368
Base-Backbone interact. energy: -0.632
local terms energy: -85.908756
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -20.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -147.101222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.101222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.101222 (E_RNA)
where:
Base-Base interactions energy: -66.253
where: short stacking energy: -56.687
Base-Backbone interact. energy: -0.099
local terms energy: -80.749543
where:
bonds (distance) C4'-P energy: -19.759
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -9.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -112.848885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.848885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.848885 (E_RNA)
where:
Base-Base interactions energy: -46.975
where: short stacking energy: -43.260
Base-Backbone interact. energy: 1.224
local terms energy: -67.097972
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -97.325118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.325118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.325118 (E_RNA)
where:
Base-Base interactions energy: -42.837
where: short stacking energy: -41.614
Base-Backbone interact. energy: -0.349
local terms energy: -54.139310
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -110.011663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.011663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.011663 (E_RNA)
where:
Base-Base interactions energy: -35.808
where: short stacking energy: -32.126
Base-Backbone interact. energy: -0.186
local terms energy: -74.017430
where:
bonds (distance) C4'-P energy: -21.813
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -327.019736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.019736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.019736 (E_RNA)
where:
Base-Base interactions energy: -221.361
where: short stacking energy: -97.622
Base-Backbone interact. energy: -0.025
local terms energy: -105.633786
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -12.212
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: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -315.010398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.010398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.010398 (E_RNA)
where:
Base-Base interactions energy: -203.332
where: short stacking energy: -96.807
Base-Backbone interact. energy: -0.161
local terms energy: -111.517137
where:
bonds (distance) C4'-P energy: -24.098
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -21.851
flat angles P-C4'-P energy: -17.457
tors. eta vs tors. theta energy: -26.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -283.884315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.884315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.884315 (E_RNA)
where:
Base-Base interactions energy: -183.625
where: short stacking energy: -82.646
Base-Backbone interact. energy: -0.189
local terms energy: -100.070234
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -13.849
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: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -295.363067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.363067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.363067 (E_RNA)
where:
Base-Base interactions energy: -196.319
where: short stacking energy: -91.337
Base-Backbone interact. energy: -0.395
local terms energy: -98.649222
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -16.297
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -246.833775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.833775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.833775 (E_RNA)
where:
Base-Base interactions energy: -146.966
where: short stacking energy: -82.282
Base-Backbone interact. energy: -0.359
local terms energy: -99.508584
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -25.004
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -22.836
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: 6, replica: 1
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -215.761927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.761927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.761927 (E_RNA)
where:
Base-Base interactions energy: -138.833
where: short stacking energy: -67.857
Base-Backbone interact. energy: -0.653
local terms energy: -76.275622
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -11.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -133.687161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.687161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.687161 (E_RNA)
where:
Base-Base interactions energy: -56.086
where: short stacking energy: -37.000
Base-Backbone interact. energy: -0.873
local terms energy: -76.728214
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -119.222020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.222020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.222020 (E_RNA)
where:
Base-Base interactions energy: -44.164
where: short stacking energy: -44.164
Base-Backbone interact. energy: -0.220
local terms energy: -74.837589
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -13.135
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: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -99.707792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.707792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.707792 (E_RNA)
where:
Base-Base interactions energy: -35.920
where: short stacking energy: -23.529
Base-Backbone interact. energy: 1.254
local terms energy: -65.041312
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: 7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -109.702091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.702091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.702091 (E_RNA)
where:
Base-Base interactions energy: -48.735
where: short stacking energy: -35.234
Base-Backbone interact. energy: -0.877
local terms energy: -60.089919
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -10.815
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: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -323.021929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.021929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.021929 (E_RNA)
where:
Base-Base interactions energy: -219.138
where: short stacking energy: -94.477
Base-Backbone interact. energy: -0.350
local terms energy: -103.533074
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -313.047748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.047748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.047748 (E_RNA)
where:
Base-Base interactions energy: -214.780
where: short stacking energy: -96.306
Base-Backbone interact. energy: -0.438
local terms energy: -97.829556
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -21.937
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -22.151
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: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -304.184624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.184624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.184624 (E_RNA)
where:
Base-Base interactions energy: -208.459
where: short stacking energy: -86.551
Base-Backbone interact. energy: -1.290
local terms energy: -94.434892
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -24.865
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -21.962
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: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -254.564058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.564058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.564058 (E_RNA)
where:
Base-Base interactions energy: -155.793
where: short stacking energy: -76.624
Base-Backbone interact. energy: -1.288
local terms energy: -97.483484
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -19.461
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -222.973993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.973993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.973993 (E_RNA)
where:
Base-Base interactions energy: -131.990
where: short stacking energy: -73.198
Base-Backbone interact. energy: 0.170
local terms energy: -91.153932
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -15.875
tors. eta vs tors. theta energy: -15.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -242.384502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.384502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.384502 (E_RNA)
where:
Base-Base interactions energy: -144.054
where: short stacking energy: -83.257
Base-Backbone interact. energy: 0.853
local terms energy: -99.183255
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -21.083
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -19.521
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: 7, replica: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -148.451845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.451845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.451845 (E_RNA)
where:
Base-Base interactions energy: -63.079
where: short stacking energy: -36.299
Base-Backbone interact. energy: -1.335
local terms energy: -84.037819
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -24.088
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -7.174
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: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -117.230779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.230779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.230779 (E_RNA)
where:
Base-Base interactions energy: -65.465
where: short stacking energy: -45.958
Base-Backbone interact. energy: 4.968
local terms energy: -56.732816
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: 0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -120.708418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.708418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.708418 (E_RNA)
where:
Base-Base interactions energy: -59.833
where: short stacking energy: -36.972
Base-Backbone interact. energy: -0.306
local terms energy: -60.569643
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -119.061855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.061855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.061855 (E_RNA)
where:
Base-Base interactions energy: -62.911
where: short stacking energy: -29.754
Base-Backbone interact. energy: 2.316
local terms energy: -58.466942
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -329.487244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.487244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.487244 (E_RNA)
where:
Base-Base interactions energy: -224.723
where: short stacking energy: -98.398
Base-Backbone interact. energy: -0.114
local terms energy: -104.650127
where:
bonds (distance) C4'-P energy: -19.043
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -23.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -303.279145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.279145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.279145 (E_RNA)
where:
Base-Base interactions energy: -197.871
where: short stacking energy: -101.130
Base-Backbone interact. energy: -1.539
local terms energy: -103.869712
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -23.290
flat angles P-C4'-P energy: -15.298
tors. eta vs tors. theta energy: -28.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -313.003818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.003818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.003818 (E_RNA)
where:
Base-Base interactions energy: -210.391
where: short stacking energy: -96.179
Base-Backbone interact. energy: -0.177
local terms energy: -102.436265
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -28.258
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: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -281.074577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.074577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.074577 (E_RNA)
where:
Base-Base interactions energy: -184.812
where: short stacking energy: -76.345
Base-Backbone interact. energy: -0.483
local terms energy: -95.779342
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -18.877
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: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -235.741024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.741024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.741024 (E_RNA)
where:
Base-Base interactions energy: -136.914
where: short stacking energy: -80.264
Base-Backbone interact. energy: -0.013
local terms energy: -98.814738
where:
bonds (distance) C4'-P energy: -21.491
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -22.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -213.016505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.016505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.016505 (E_RNA)
where:
Base-Base interactions energy: -126.819
where: short stacking energy: -70.924
Base-Backbone interact. energy: -0.954
local terms energy: -85.243021
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -140.235686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.235686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.235686 (E_RNA)
where:
Base-Base interactions energy: -79.039
where: short stacking energy: -35.682
Base-Backbone interact. energy: -0.396
local terms energy: -60.800604
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: -0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -138.496329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.496329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.496329 (E_RNA)
where:
Base-Base interactions energy: -62.861
where: short stacking energy: -28.052
Base-Backbone interact. energy: -0.219
local terms energy: -75.415953
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -21.104
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: 0.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -121.665423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.665423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.665423 (E_RNA)
where:
Base-Base interactions energy: -48.865
where: short stacking energy: -47.525
Base-Backbone interact. energy: 0.483
local terms energy: -73.283399
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -5.473
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: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -106.121265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.121265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.121265 (E_RNA)
where:
Base-Base interactions energy: -44.036
where: short stacking energy: -44.036
Base-Backbone interact. energy: -0.022
local terms energy: -62.062968
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/RND30-3757590f_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 10
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -337.235721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.235721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.235721 (E_RNA)
where:
Base-Base interactions energy: -225.834
where: short stacking energy: -99.017
Base-Backbone interact. energy: -0.184
local terms energy: -111.217621
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -23.606
flat angles C4'-P-C4' energy: -24.023
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -29.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -325.608325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.608325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.608325 (E_RNA)
where:
Base-Base interactions energy: -222.957
where: short stacking energy: -93.124
Base-Backbone interact. energy: -0.500
local terms energy: -102.151363
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -21.663
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -25.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -314.596013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.596013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.596013 (E_RNA)
where:
Base-Base interactions energy: -213.496
where: short stacking energy: -96.543
Base-Backbone interact. energy: -0.409
local terms energy: -100.690981
where:
bonds (distance) C4'-P energy: -21.381
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -25.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -265.393254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.393254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.393254 (E_RNA)
where:
Base-Base interactions energy: -172.328
where: short stacking energy: -94.571
Base-Backbone interact. energy: 0.531
local terms energy: -93.596374
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -24.714
flat angles P-C4'-P energy: -14.960
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: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -246.123308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.123308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.123308 (E_RNA)
where:
Base-Base interactions energy: -149.515
where: short stacking energy: -71.299
Base-Backbone interact. energy: -0.036
local terms energy: -96.572277
where:
bonds (distance) C4'-P energy: -20.868
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -19.137
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: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -218.090021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.090021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.090021 (E_RNA)
where:
Base-Base interactions energy: -136.401
where: short stacking energy: -66.920
Base-Backbone interact. energy: -0.445
local terms energy: -81.244315
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -21.652
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -146.459196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.459196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.459196 (E_RNA)
where:
Base-Base interactions energy: -82.727
where: short stacking energy: -49.311
Base-Backbone interact. energy: -0.294
local terms energy: -63.438433
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -114.354570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.354570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.354570 (E_RNA)
where:
Base-Base interactions energy: -42.124
where: short stacking energy: -41.608
Base-Backbone interact. energy: -0.137
local terms energy: -72.093853
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -15.734
tors. eta vs tors. theta energy: -6.952
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: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -112.235577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.235577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.235577 (E_RNA)
where:
Base-Base interactions energy: -55.869
where: short stacking energy: -47.053
Base-Backbone interact. energy: 0.564
local terms energy: -56.930635
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -1.371
tors. eta vs tors. theta energy: -5.688
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: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -111.694024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.694024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.694024 (E_RNA)
where:
Base-Base interactions energy: -40.523
where: short stacking energy: -27.712
Base-Backbone interact. energy: 0.054
local terms energy: -71.224968
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: 1.239
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 10
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -327.142004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.142004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.142004 (E_RNA)
where:
Base-Base interactions energy: -214.222
where: short stacking energy: -97.080
Base-Backbone interact. energy: -0.198
local terms energy: -112.722056
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -23.754
flat angles C4'-P-C4' energy: -25.982
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -28.781
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: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -315.661385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.661385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.661385 (E_RNA)
where:
Base-Base interactions energy: -219.635
where: short stacking energy: -92.701
Base-Backbone interact. energy: -0.299
local terms energy: -95.726741
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -25.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -318.342190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.342190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.342190 (E_RNA)
where:
Base-Base interactions energy: -214.315
where: short stacking energy: -101.279
Base-Backbone interact. energy: 0.270
local terms energy: -104.296703
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -22.930
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -26.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -240.828672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.828672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.828672 (E_RNA)
where:
Base-Base interactions energy: -155.447
where: short stacking energy: -67.293
Base-Backbone interact. energy: -0.387
local terms energy: -84.994798
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -17.212
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: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -251.371726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.371726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.371726 (E_RNA)
where:
Base-Base interactions energy: -164.217
where: short stacking energy: -78.014
Base-Backbone interact. energy: -0.528
local terms energy: -86.627217
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -226.714228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.714228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.714228 (E_RNA)
where:
Base-Base interactions energy: -144.757
where: short stacking energy: -72.760
Base-Backbone interact. energy: -0.008
local terms energy: -81.949383
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -22.576
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -20.763
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: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -145.555839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.555839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.555839 (E_RNA)
where:
Base-Base interactions energy: -69.816
where: short stacking energy: -48.074
Base-Backbone interact. energy: -0.081
local terms energy: -75.658967
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -6.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -138.149231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.149231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.149231 (E_RNA)
where:
Base-Base interactions energy: -81.428
where: short stacking energy: -41.416
Base-Backbone interact. energy: -0.214
local terms energy: -56.507370
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -10.044
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: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -113.038391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.038391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.038391 (E_RNA)
where:
Base-Base interactions energy: -52.610
where: short stacking energy: -29.300
Base-Backbone interact. energy: -0.422
local terms energy: -60.006462
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -93.515521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.515521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.515521 (E_RNA)
where:
Base-Base interactions energy: -31.855
where: short stacking energy: -31.955
Base-Backbone interact. energy: -0.158
local terms energy: -61.501824
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: 1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE